 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer00_STD_wB97XD_def2SVPD.in
 Output=31_naproxen_conformer00_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/31_naproxen/Gau-177642.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/31_naproxen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    177643.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer00_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer00_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 3.352380000000      0.081536000000     -0.094047000000
  C                                                 2.853162000000     -1.229651000000      0.086888000000
  C                                                 2.486454000000      1.151296000000     -0.114829000000
  C                                                 1.100546000000      0.960772000000      0.042252000000
  C                                                 0.590185000000     -0.359596000000      0.227036000000
  C                                                 1.505764000000     -1.433604000000      0.242412000000
  C                                                 0.178320000000      2.035716000000      0.022349000000
  C                                                -1.162617000000      1.813105000000      0.178068000000
  C                                                -1.675581000000      0.507253000000      0.370446000000
  C                                                -0.800954000000     -0.550815000000      0.386518000000
  C                                                -3.175000000000      0.316508000000      0.539158000000
  O                                                 4.675062000000      0.363691000000     -0.254438000000
  C                                                 5.607556000000     -0.703149000000     -0.244694000000
  H                                                 3.524663000000     -2.074808000000      0.103947000000
  H                                                 2.886450000000      2.147038000000     -0.255665000000
  H                                                 1.129072000000     -2.439742000000      0.380890000000
  H                                                 0.550726000000      3.042648000000     -0.120102000000
  H                                                -1.852677000000      2.647425000000      0.153954000000
  H                                                -1.168601000000     -1.561255000000      0.512106000000
  H                                                -3.627638000000      1.305010000000      0.609167000000
  C                                                -3.546747000000     -0.494005000000      1.785225000000
  C                                                -3.751553000000     -0.273210000000     -0.735630000000
  H                                                 6.583819000000     -0.246740000000     -0.388953000000
  H                                                 5.417122000000     -1.410440000000     -1.057092000000
  H                                                 5.597238000000     -1.237035000000      0.709988000000
  H                                                -3.163624000000      0.008881000000      2.673322000000
  H                                                -3.125429000000     -1.496647000000      1.749497000000
  H                                                -4.629967000000     -0.586055000000      1.879701000000
  O                                                -4.295658000000      0.357517000000     -1.603525000000
  O                                                -3.574263000000     -1.613892000000     -0.819614000000
  H                                                -3.933780000000     -1.889738000000     -1.677049000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          16          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1           1           1           1          16          16
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146
 NucSpn=           0           0           1           1           1           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.414626   0.000000
     3  C    1.376461   2.417452   0.000000
     4  C    2.421237   2.805639   1.407734   0.000000
     5  C    2.815566   2.428518   2.448572   1.427580   0.000000
     6  C    2.412228   1.371592   2.787666   2.436658   1.411387
     7  C    3.729212   4.221560   2.475581   1.416475   2.439067
     8  C    4.843302   5.039163   3.720148   2.422153   2.792014
     9  C    5.067285   4.858678   4.239436   2.832008   2.430162
    10  C    4.228592   3.728694   3.735717   2.453389   1.413247
    11  C    6.562229   6.239703   5.759916   4.352274   3.838119
    12  O    1.361919   2.444292   2.330197   3.636165   4.176264
    13  C    2.392539   2.823798   3.632783   4.812911   5.051195
    14  H    2.172257   1.079581   3.396099   3.885215   3.401215
    15  H    2.123561   3.394183   1.082282   2.164586   3.433518
    16  H    3.394924   2.126792   3.870888   3.417453   2.154316
    17  H    4.076534   4.857633   2.706341   2.159368   3.420135
    18  H    5.808434   6.097634   4.597685   3.402764   3.874931
    19  H    4.848242   4.057752   4.594606   3.424969   2.149088
    20  H    7.121239   6.978399   6.158727   4.774476   4.550491
    21  C    7.173623   6.662159   6.535804   5.172201   4.422694
    22  C    7.141662   6.724104   6.428635   5.066624   4.448019
    23  H    3.261431   3.887202   4.337977   5.631190   6.026261
    24  H    2.723345   2.813408   4.004893   5.046190   5.104173
    25  H    2.724792   2.813941   4.007671   5.049403   5.106243
    26  H    7.079683   6.665232   6.403302   5.100174   4.495684
    27  H    6.917465   6.211208   6.479239   5.178075   4.173315
    28  H    8.249801   7.721762   7.592100   6.213507   5.480198
    29  O    7.800460   7.515466   6.988801   5.673757   5.266561
    30  O    7.167936   6.502398   6.698901   5.406066   4.473406
    31  H    7.712324   7.043420   7.273776   6.035382   5.141316
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721118   0.000000
     8  C    4.203037   1.368180   0.000000
     9  C    3.728844   2.427822   1.416118   0.000000
    10  C    2.474072   2.789577   2.400494   1.372858   0.000000
    11  C    5.006047   3.803620   2.533747   1.520889   2.532122
    12  O    3.677170   4.805514   6.030453   6.382927   5.588729
    13  C    4.194703   6.086813   7.235019   7.408614   6.441322
    14  H    2.122797   5.301045   6.090317   5.812108   4.594928
    15  H    3.869803   2.724638   4.085900   4.888050   4.613866
    16  H    1.083230   4.589358   4.835254   4.068288   2.700570
    17  H    4.591334   1.083001   2.129842   3.409591   3.872555
    18  H    5.285996   2.125196   1.082984   2.158372   3.374751
    19  H    2.690959   3.871984   3.390859   2.134437   1.082555
    20  H    5.829780   3.919643   2.553495   2.122247   3.388776
    21  C    5.365723   4.835633   3.686433   2.550565   3.082043
    22  C    5.471971   4.620560   3.448209   2.478343   3.168961
    23  H    5.252991   6.812429   8.035655   8.328438   7.431601
    24  H    4.121646   6.362879   7.430332   7.484774   6.441074
    25  H    4.122793   6.367764   7.435182   7.486770   6.443011
    26  H    5.458321   4.722744   3.672267   2.786734   3.335407
    27  H    4.870650   5.135697   4.156498   2.831864   2.855783
    28  H    6.406735   5.782998   4.546871   3.493075   4.110009
    29  O    6.346030   5.047405   3.886998   3.283868   4.122899
    30  O    5.192983   5.301926   4.307634   3.085529   3.205640
    31  H    5.786279   5.933507   4.983157   3.877791   3.983167
                   11         12         13         14         15
    11  C    0.000000
    12  O    7.890215   0.000000
    13  C    8.876227   1.416964   0.000000
    14  H    7.126941   2.719951   2.518222   0.000000
    15  H    6.381517   2.525759   3.940572   4.284929   0.000000
    16  H    5.113414   4.564748   4.843958   2.439002   4.952992
    17  H    4.663421   4.919858   6.294287   5.923078   2.505215
    18  H    2.707415   6.927741   8.187817   7.156659   4.783043
    19  H    2.748156   6.200113   6.872074   4.738888   5.548364
    20  H    1.089458   8.400400   9.489499   7.926779   6.624975
    21  C    1.532257   8.514341   9.378997   7.438446   7.247507
    22  C    1.518310   8.464339   9.381833   7.542809   7.081741
    23  H    9.819022   2.008500   1.087294   3.597668   4.406640
    24  H    8.908138   2.083854   1.093854   2.317498   4.438720
    25  H    8.910378   2.083951   1.093873   2.316186   4.442162
    26  H    2.156251   8.375122   9.271214   7.461677   7.053657
    27  H    2.180575   8.265850   8.992856   6.875015   7.310253
    28  H    2.174535   9.593755  10.456273   8.477481   8.278050
    29  O    2.418398   9.071598  10.052118   8.365948   7.523416
    30  O    2.394184   8.501860   9.244771   7.173574   7.496896
    31  H    3.217894   9.011877   9.720943   7.670370   8.051797
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.535529   0.000000
    18  H    5.900983   2.451052   0.000000
    19  H    2.463383   4.954967   4.278927   0.000000
    20  H    6.058182   4.583661   2.271516   3.777798   0.000000
    21  C    5.255600   5.738246   3.924220   2.900937   2.150840
    22  C    5.455362   5.466571   3.595441   3.144447   2.077164
    23  H    5.929265   6.876814   8.935626   7.914536  10.376802
    24  H    4.638386   6.662564   8.413256   6.771770   9.589461
    25  H    4.638892   6.668734   8.420180   6.776493   9.569247
    26  H    5.447774   5.550077   3.876559   3.334111   2.481128
    27  H    4.567635   6.133084   4.619414   2.316136   3.066243
    28  H    6.232906   6.633723   4.598580   3.847387   2.488985
    29  O    6.417964   5.735670   3.781609   4.235099   2.497999
    30  O    4.923880   6.260049   4.697927   2.750174   3.250270
    31  H    5.492730   6.845678   5.316899   3.542106   3.940421
                   21         22         23         24         25
    21  C    0.000000
    22  C    2.538780   0.000000
    23  H   10.364196  10.341218   0.000000
    24  H    9.448257   9.244524   1.778142   0.000000
    25  H    9.236920   9.508873   1.778116   1.784680   0.000000
    26  H    1.090135   3.470762  10.220348   9.463597   9.064198
    27  H    1.088153   2.839839  10.020216   8.992194   8.788225
    28  H    1.091222   2.776588  11.446000  10.499922  10.314443
    29  O    3.573455   1.202958  10.963728   9.887485  10.284179
    30  O    2.835505   1.354959  10.258714   8.996821   9.305812
    31  H    3.753026   1.879532  10.722804   9.383680   9.847044
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766784   0.000000
    28  H    1.770295   1.763453   0.000000
    29  O    4.437845   4.006260   3.624218   0.000000
    30  O    3.873321   2.610657   3.075266   2.240844   0.000000
    31  H    4.808703   3.542481   3.851589   2.277392   0.969814
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2770957           0.2099576           0.1981845
 Leave Link  202 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     23     24     25
 Centers:      26     27     28     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     13     21     22
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      12     29     30
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1132.7082601997 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0204050915 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1132.6878551081 Hartrees.
 Leave Link  301 at Thu Sep 23 13:03:27 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.27D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Sep 23 13:03:27 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Sep 23 13:03:28 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer00_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Sep 23 13:03:29 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.837612648797    
 DIIS: error= 3.74D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.837612648797     IErMin= 1 ErrMin= 3.74D-03
 ErrMax= 3.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-02 BMatP= 1.93D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.74D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.293 Goal=   None    Shift=    0.000
 GapD=    0.293 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.91D-03 MaxDP=5.62D-01              OVMax= 1.71D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.91D-03    CP:  9.89D-01
 E= -766.853165698336     Delta-E=       -0.015553049539 Rises=F Damp=F
 DIIS: error= 7.75D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.853165698336     IErMin= 2 ErrMin= 7.75D-04
 ErrMax= 7.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-04 BMatP= 1.93D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.75D-03
 Coeff-Com: -0.150D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.149D-02 0.100D+01
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.25D-03 MaxDP=1.01D-01 DE=-1.56D-02 OVMax= 7.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.69D-04    CP:  1.01D+00  1.08D+00
 E= -766.853695476349     Delta-E=       -0.000529778013 Rises=F Damp=F
 DIIS: error= 7.48D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.853695476349     IErMin= 3 ErrMin= 7.48D-04
 ErrMax= 7.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-04 BMatP= 6.46D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.48D-03
 Coeff-Com: -0.449D-01 0.485D+00 0.560D+00
 Coeff-En:   0.000D+00 0.689D-01 0.931D+00
 Coeff:     -0.446D-01 0.482D+00 0.562D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.35D-04 MaxDP=4.34D-03 DE=-5.30D-04 OVMax= 2.67D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.01D+00  1.09D+00  1.04D+00
 E= -766.854066069076     Delta-E=       -0.000370592727 Rises=F Damp=F
 DIIS: error= 1.21D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.854066069076     IErMin= 4 ErrMin= 1.21D-04
 ErrMax= 1.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-05 BMatP= 5.37D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.21D-03
 Coeff-Com: -0.145D-01 0.832D-01 0.172D+00 0.759D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.145D-01 0.831D-01 0.172D+00 0.760D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=6.42D-05 MaxDP=2.96D-03 DE=-3.71D-04 OVMax= 1.10D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.27D-05    CP:  1.01D+00  1.09D+00  1.06D+00  1.14D+00
 E= -766.854083440781     Delta-E=       -0.000017371704 Rises=F Damp=F
 DIIS: error= 5.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.854083440781     IErMin= 5 ErrMin= 5.09D-05
 ErrMax= 5.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-06 BMatP= 1.73D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-02-0.346D-01-0.269D-01 0.256D+00 0.805D+00
 Coeff:      0.100D-02-0.346D-01-0.269D-01 0.256D+00 0.805D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.28D-05 MaxDP=7.91D-04 DE=-1.74D-05 OVMax= 6.03D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.76D-05    CP:  1.01D+00  1.09D+00  1.08D+00  1.18D+00  9.63D-01
 E= -766.854086690336     Delta-E=       -0.000003249555 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.854086690336     IErMin= 6 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-07 BMatP= 2.56D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-02-0.185D-01-0.211D-01 0.557D-01 0.307D+00 0.675D+00
 Coeff:      0.127D-02-0.185D-01-0.211D-01 0.557D-01 0.307D+00 0.675D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=6.68D-06 MaxDP=3.33D-04 DE=-3.25D-06 OVMax= 1.95D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.57D-06    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  9.92D-01
                    CP:  9.60D-01
 E= -766.854086994812     Delta-E=       -0.000000304476 Rises=F Damp=F
 DIIS: error= 5.76D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.854086994812     IErMin= 7 ErrMin= 5.76D-06
 ErrMax= 5.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.41D-08 BMatP= 2.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.393D-03-0.252D-02-0.486D-02-0.174D-01 0.115D-03 0.300D+00
 Coeff-Com:  0.724D+00
 Coeff:      0.393D-03-0.252D-02-0.486D-02-0.174D-01 0.115D-03 0.300D+00
 Coeff:      0.724D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.22D-06 MaxDP=1.56D-04 DE=-3.04D-07 OVMax= 1.20D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.98D-06    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  9.80D-01  1.28D+00
 E= -766.854087080278     Delta-E=       -0.000000085465 Rises=F Damp=F
 DIIS: error= 3.75D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.854087080278     IErMin= 8 ErrMin= 3.75D-06
 ErrMax= 3.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.08D-09 BMatP= 5.41D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.873D-04 0.256D-02 0.242D-02-0.164D-01-0.592D-01-0.347D-01
 Coeff-Com:  0.257D+00 0.849D+00
 Coeff:     -0.873D-04 0.256D-02 0.242D-02-0.164D-01-0.592D-01-0.347D-01
 Coeff:      0.257D+00 0.849D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.31D-06 MaxDP=5.84D-05 DE=-8.55D-08 OVMax= 7.70D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.18D-07    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.00D+00  1.38D+00  1.22D+00
 E= -766.854087097303     Delta-E=       -0.000000017026 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.854087097303     IErMin= 9 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-09 BMatP= 8.08D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.927D-04 0.151D-02 0.181D-02-0.496D-02-0.270D-01-0.631D-01
 Coeff-Com:  0.152D-01 0.417D+00 0.660D+00
 Coeff:     -0.927D-04 0.151D-02 0.181D-02-0.496D-02-0.270D-01-0.631D-01
 Coeff:      0.152D-01 0.417D+00 0.660D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.31D-07 MaxDP=1.57D-05 DE=-1.70D-08 OVMax= 2.09D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.11D-07    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.00D+00  1.41D+00  1.27D+00  1.10D+00
 E= -766.854087100011     Delta-E=       -0.000000002708 Rises=F Damp=F
 DIIS: error= 3.66D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.854087100011     IErMin=10 ErrMin= 3.66D-07
 ErrMax= 3.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-10 BMatP= 1.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-04 0.976D-04 0.194D-03 0.870D-03 0.322D-03-0.132D-01
 Coeff-Com: -0.313D-01-0.507D-02 0.167D+00 0.882D+00
 Coeff:     -0.170D-04 0.976D-04 0.194D-03 0.870D-03 0.322D-03-0.132D-01
 Coeff:     -0.313D-01-0.507D-02 0.167D+00 0.882D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.24D-07 MaxDP=7.94D-06 DE=-2.71D-09 OVMax= 1.09D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.44D-07    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  9.98D-01  1.43D+00  1.30D+00  1.19D+00  1.18D+00
 E= -766.854087100386     Delta-E=       -0.000000000375 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.854087100386     IErMin=11 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-11 BMatP= 1.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.865D-05-0.209D-03-0.227D-03 0.116D-02 0.441D-02 0.481D-02
 Coeff-Com: -0.150D-01-0.648D-01-0.379D-01 0.342D+00 0.766D+00
 Coeff:      0.865D-05-0.209D-03-0.227D-03 0.116D-02 0.441D-02 0.481D-02
 Coeff:     -0.150D-01-0.648D-01-0.379D-01 0.342D+00 0.766D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=7.59D-08 MaxDP=2.93D-06 DE=-3.75D-10 OVMax= 3.04D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.55D-08    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  9.97D-01  1.43D+00  1.31D+00  1.23D+00  1.22D+00
                    CP:  1.07D+00
 E= -766.854087100354     Delta-E=        0.000000000031 Rises=F Damp=F
 DIIS: error= 3.38D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -766.854087100386     IErMin=12 ErrMin= 3.38D-08
 ErrMax= 3.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-12 BMatP= 2.45D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.421D-05-0.699D-04-0.852D-04 0.247D-03 0.118D-02 0.293D-02
 Coeff-Com: -0.808D-03-0.166D-01-0.296D-01-0.376D-02 0.221D+00 0.825D+00
 Coeff:      0.421D-05-0.699D-04-0.852D-04 0.247D-03 0.118D-02 0.293D-02
 Coeff:     -0.808D-03-0.166D-01-0.296D-01-0.376D-02 0.221D+00 0.825D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.53D-08 MaxDP=1.16D-06 DE= 3.14D-11 OVMax= 1.01D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.02D-08    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  9.97D-01  1.43D+00  1.30D+00  1.22D+00  1.24D+00
                    CP:  1.14D+00  9.74D-01
 E= -766.854087100355     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.70D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -766.854087100386     IErMin=13 ErrMin= 1.70D-08
 ErrMax= 1.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.73D-13 BMatP= 2.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.533D-06-0.145D-05-0.452D-05-0.365D-04-0.717D-04 0.525D-03
 Coeff-Com:  0.134D-02 0.147D-02-0.627D-02-0.413D-01-0.171D-01 0.305D+00
 Coeff-Com:  0.757D+00
 Coeff:      0.533D-06-0.145D-05-0.452D-05-0.365D-04-0.717D-04 0.525D-03
 Coeff:      0.134D-02 0.147D-02-0.627D-02-0.413D-01-0.171D-01 0.305D+00
 Coeff:      0.757D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.14D-08 MaxDP=6.34D-07 DE=-6.82D-13 OVMax= 4.13D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.27D-09    CP:  1.01D+00  1.09D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  9.97D-01  1.43D+00  1.30D+00  1.22D+00  1.24D+00
                    CP:  1.15D+00  1.07D+00  9.13D-01
 E= -766.854087100368     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 6.32D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -766.854087100386     IErMin=14 ErrMin= 6.32D-09
 ErrMax= 6.32D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.82D-14 BMatP= 3.73D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.416D-06 0.100D-04 0.112D-04-0.519D-04-0.211D-03-0.267D-03
 Coeff-Com:  0.555D-03 0.307D-02 0.248D-02-0.136D-01-0.423D-01-0.131D-01
 Coeff-Com:  0.254D+00 0.810D+00
 Coeff:     -0.416D-06 0.100D-04 0.112D-04-0.519D-04-0.211D-03-0.267D-03
 Coeff:      0.555D-03 0.307D-02 0.248D-02-0.136D-01-0.423D-01-0.131D-01
 Coeff:      0.254D+00 0.810D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.59D-09 MaxDP=2.97D-07 DE=-1.30D-11 OVMax= 2.49D-07

 SCF Done:  E(RwB97XD) =  -766.854087100     A.U. after   14 cycles
            NFock= 14  Conv=0.46D-08     -V/T= 2.0108
 KE= 7.586883042451D+02 PE=-4.048370118934D+03 EE= 1.390139872480D+03
 Leave Link  502 at Thu Sep 23 13:08:54 2021, MaxMem=  5368709120 cpu:            2596.4 elap:             325.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.56411655D+02

 Leave Link  801 at Thu Sep 23 13:08:54 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.24D-01 9.83D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 5.74D-02 1.24D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 6.95D-03 3.61D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.43D-03 1.01D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.98D-04 2.77D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.22D-05 6.32D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 6.50D-07 1.42D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 3.68D-08 3.32D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.01D-09 3.95D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 2.67D-11 6.17D-07.
      9 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.03D-12 1.13D-07.
      4 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 7.21D-14 2.53D-08.
      1 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 1.16D-13 1.69D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.290372D+03
      2 -0.193419D+02  0.179467D+03
      3 -0.801563D+01 -0.513583D+01  0.119795D+03
 Isotropic polarizability for W=    0.088559      196.54 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.420844D+03 -0.107866D+03 -0.880042D+02
      2  -0.180867D+03  0.908466D+02  0.880912D+01
      3  -0.239977D+03  0.170192D+02  0.791951D+02
      4  -0.575750D+02  0.862227D+02 -0.487437D+01
      5  -0.102634D+02  0.114011D+01 -0.849344D+02
      6  -0.394102D+01  0.198484D+02 -0.206761D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.113434D+02  0.202675D+02  0.300928D+01
      2  -0.790877D+02 -0.187485D+01 -0.260182D+02
      3   0.102174D+03 -0.422214D+02 -0.511505D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.601449D+01  0.110393D+02  0.376954D+02
      2  -0.777408D+02 -0.933347D+00  0.155042D+03
      3   0.502908D+02 -0.267090D+03 -0.508114D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.199133D+01  0.636738D+01 -0.152976D+02
      2   0.636738D+01  0.288085D+01  0.305392D+01
      3  -0.152976D+02  0.305392D+01  0.346400D+01
 OR G Eigenvalues:   -17.1505     4.9777    16.5264  Iso=    -1.4512
 Eigenvectors:
   (1)   0.735940  -0.324524   0.594203
   (2)   0.155163   0.935123   0.318543
   (3)  -0.659027  -0.142230   0.738548
 w=    0.088559 a.u., Optical Rotation Beta=     -1.4512 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -319.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.89D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.83D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.53D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 6.58D-02 5.21D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 4.82D-03 1.58D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.39D-04 2.08D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 6.05D-06 2.71D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.17D-07 3.70D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.32D-09 5.95D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 3.28D-11 7.08D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 3.86D-13 5.84D-08.
     13 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 4.49D-14 1.22D-08.
      6 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 2.58D-14 1.11D-08.
      4 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 2.32D-14 9.71D-09.
      3 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.96D-14 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   296 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.00D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.00D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.290372D+03 -0.193419D+02 -0.801563D+01
      2  -0.193419D+02  0.179467D+03 -0.513583D+01
      3  -0.801563D+01 -0.513583D+01  0.119795D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.113434D+02  0.202675D+02  0.300928D+01
      2  -0.790877D+02 -0.187485D+01 -0.260182D+02
      3   0.102174D+03 -0.422214D+02 -0.511505D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.420844D+03 -0.107866D+03 -0.880042D+02
      2  -0.180867D+03  0.908466D+02  0.880912D+01
      3  -0.239977D+03  0.170192D+02  0.791951D+02
      4  -0.575750D+02  0.862227D+02 -0.487437D+01
      5  -0.102634D+02  0.114011D+01 -0.849344D+02
      6  -0.394102D+01  0.198484D+02 -0.206761D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.383499D+02 -0.757934D+01 -0.135953D+01 -0.381673D+01  0.235092D+01
      2  -0.757934D+01  0.943999D+01 -0.165999D+00  0.235092D+01 -0.141560D+02
      3  -0.135953D+01 -0.165999D+00  0.276619D+01  0.583335D+00  0.152432D+01
                 6             7             8             9            10 
      1   0.583335D+00 -0.190582D+01  0.104232D+01  0.702863D+01  0.500107D+01
      2   0.152432D+01  0.104232D+01  0.231314D+00 -0.143253D+01  0.211674D+01
      3  -0.178839D+00  0.702863D+01 -0.143253D+01 -0.118277D+01 -0.256616D+00
                11            12            13            14            15 
      1   0.211674D+01 -0.256616D+00 -0.143329D+02  0.404384D+01  0.108048D+01
      2   0.993969D+01 -0.157220D+01  0.404384D+01  0.423245D+01 -0.142911D+01
      3  -0.157220D+01  0.197187D+01  0.108048D+01 -0.142911D+01 -0.124541D+01
                16            17            18            19            20 
      1   0.162968D+01 -0.492146D+00  0.409582D+01 -0.365222D+02  0.119890D+02
      2  -0.492146D+00 -0.199708D+01 -0.269354D+01  0.119890D+02 -0.908168D+01
      3   0.409582D+01 -0.269354D+01 -0.263225D+00  0.141059D+01  0.642975D+00
                21            22            23            24            25 
      1   0.141059D+01  0.192946D+02 -0.529051D+01 -0.776519D+00  0.174541D+01
      2   0.642975D+00 -0.529051D+01  0.755110D+01  0.268100D+00 -0.139151D+00
      3  -0.381869D+00 -0.776519D+00  0.268100D+00  0.187733D+01  0.242132D+00
                26            27            28            29            30 
      1  -0.139151D+00  0.242132D+00  0.366763D+02 -0.107518D+02 -0.119777D+01
      2   0.115048D+01  0.460958D+01 -0.107518D+02  0.322776D+01  0.377174D+00
      3   0.460958D+01 -0.117373D+01 -0.119777D+01  0.377174D+00  0.155740D+00
                31            32            33            34            35 
      1   0.442660D+02 -0.868905D+01 -0.298629D+01 -0.805239D+01  0.216180D+01
      2  -0.868905D+01  0.834617D+01  0.300260D+00  0.216180D+01 -0.109417D+01
      3  -0.298629D+01  0.300260D+00  0.170993D+00  0.134920D+01  0.784385D+00
                36            37            38            39            40 
      1   0.134920D+01 -0.400791D+02  0.114771D+02  0.133989D+01 -0.409979D+02
      2   0.784385D+00  0.114771D+02 -0.750916D+01 -0.490961D+00  0.754839D+01
      3  -0.199559D+00  0.133989D+01 -0.490961D+00  0.169204D+00  0.272053D+01
                41            42            43            44            45 
      1   0.754839D+01  0.272053D+01  0.820324D+01 -0.201727D+01 -0.140406D+01
      2  -0.604275D+01 -0.143726D+00 -0.201727D+01  0.127572D+01 -0.674407D+00
      3  -0.143726D+00 -0.259987D+00 -0.140406D+01 -0.674407D+00  0.202390D+00
                46            47            48            49            50 
      1  -0.559494D+01 -0.327733D+01  0.988656D+00 -0.126826D+01  0.377863D+01
      2  -0.327733D+01 -0.517145D+01  0.404183D+00  0.377863D+01 -0.284932D+01
      3   0.988656D+00  0.404183D+00 -0.170019D+01 -0.744424D+00 -0.670086D+00
                51            52            53            54            55 
      1  -0.744424D+00  0.707921D+00 -0.508289D+00 -0.754495D+00  0.103036D+02
      2  -0.670086D+00 -0.508289D+00 -0.104271D+00 -0.418316D+01  0.184355D+01
      3  -0.109674D+01 -0.754495D+00 -0.418316D+01  0.138856D+01 -0.168199D+01
                56            57            58            59            60 
      1   0.184355D+01 -0.168199D+01 -0.362264D+00 -0.298899D+01  0.767336D+00
      2   0.982256D+01 -0.855624D-01 -0.298899D+01  0.483156D+00  0.727316D+00
      3  -0.855624D-01  0.138885D+01  0.767336D+00  0.727316D+00  0.111299D+01
                61            62            63            64            65 
      1  -0.641255D+00  0.728052D+00  0.137620D+01 -0.513320D+01 -0.247556D+01
      2   0.728052D+00  0.131985D+00  0.453243D+01 -0.247556D+01 -0.138909D+02
      3   0.137620D+01  0.453243D+01 -0.141909D+01  0.446557D+00  0.135036D+01
                66            67            68            69            70 
      1   0.446557D+00  0.109032D+02 -0.188206D+01 -0.483243D+00 -0.365215D+01
      2   0.135036D+01 -0.188206D+01 -0.759519D+01  0.129666D+01  0.211389D+00
      3  -0.203214D+01 -0.483243D+00  0.129666D+01  0.123888D+01 -0.557573D+01
                71            72            73            74            75 
      1   0.211389D+00 -0.557573D+01 -0.475062D+02  0.567087D+01  0.171062D+01
      2   0.286766D+01  0.259013D+01  0.567087D+01 -0.491650D+01  0.270696D+00
      3   0.259013D+01  0.712697D+00  0.171062D+01  0.270696D+00 -0.133051D+01
                76            77            78            79            80 
      1   0.816637D+01 -0.241467D+01 -0.119597D+01  0.586853D+00 -0.113247D+01
      2  -0.241467D+01  0.177069D+02 -0.131929D+01 -0.113247D+01 -0.798538D+00
      3  -0.119597D+01 -0.131929D+01 -0.295819D+00 -0.633218D+01  0.816491D+00
                81            82            83            84            85 
      1  -0.633218D+01  0.421932D+02 -0.117623D+02 -0.163272D+01 -0.215399D+02
      2   0.816491D+00 -0.117623D+02  0.114535D+02 -0.600188D+00  0.273827D+01
      3   0.979299D+00 -0.163272D+01 -0.600188D+00  0.243716D+00  0.516889D+00
                86            87            88            89            90 
      1   0.273827D+01  0.516889D+00 -0.361677D+01  0.195065D+00 -0.343072D+00
      2  -0.755727D+01  0.914389D-01  0.195065D+00 -0.102976D+01 -0.356843D+01
      3   0.914389D-01 -0.167837D+01 -0.343072D+00 -0.356843D+01  0.140059D+01
                91            92            93            94            95 
      1   0.735514D+01 -0.173592D+01 -0.113983D+01  0.454303D+01  0.219900D+01
      2  -0.173592D+01  0.200672D+01 -0.532383D-02  0.219900D+01 -0.296560D+01
      3  -0.113983D+01 -0.532383D-02  0.183669D+01 -0.597188D+00 -0.471013D+00
                96            97            98            99           100 
      1  -0.597188D+00  0.522099D+01  0.455359D+00  0.669686D+01 -0.104164D+02
      2  -0.471013D+00  0.455359D+00  0.146655D-01  0.226650D+01  0.451402D+01
      3   0.310353D+01  0.669686D+01  0.226650D+01 -0.632836D+00  0.270637D+00
               101           102           103           104           105 
      1   0.451402D+01  0.270637D+00 -0.330987D+00  0.284334D+01 -0.342379D+00
      2  -0.395924D+01  0.208133D-01  0.284334D+01  0.128339D+01 -0.405274D+00
      3   0.208133D-01  0.250602D+00 -0.342379D+00 -0.405274D+00 -0.756233D+00
               106           107           108           109           110 
      1   0.104276D+01 -0.633374D+00  0.112642D+00 -0.173708D+00 -0.441296D+01
      2  -0.633374D+00  0.405583D+00  0.753824D+00 -0.441296D+01  0.172982D+01
      3   0.112642D+00  0.753824D+00 -0.115157D+00  0.368543D+00  0.736948D+00
               111           112           113           114           115 
      1   0.368543D+00 -0.530523D+01 -0.157241D+01  0.100475D+01  0.288029D+00
      2   0.736948D+00 -0.157241D+01  0.166619D+01  0.964120D+00  0.864942D+00
      3  -0.108841D+00  0.100475D+01  0.964120D+00  0.562577D+01 -0.212069D+01
               116           117           118           119           120 
      1   0.864942D+00 -0.212069D+01  0.646723D+01 -0.312764D+01 -0.320534D+00
      2   0.602982D+00  0.440451D+01 -0.312764D+01  0.283448D+01  0.128622D-01
      3   0.440451D+01 -0.106993D+01 -0.320534D+00  0.128622D-01  0.298379D+00
               121           122           123           124           125 
      1  -0.434936D+01  0.460772D+01 -0.178681D+00 -0.390418D+00 -0.206700D+00
      2   0.460772D+01 -0.559171D+01  0.783202D-01 -0.206700D+00  0.252122D+00
      3  -0.178681D+00  0.783202D-01 -0.601942D+00 -0.437756D+00 -0.475797D-01
               126           127           128           129           130 
      1  -0.437756D+00  0.172833D+01  0.275449D+01 -0.379410D+00  0.332842D+01
      2  -0.475797D-01  0.275449D+01  0.219857D+01 -0.433972D+00  0.363241D+01
      3   0.131820D+00 -0.379410D+00 -0.433972D+00  0.441346D+00 -0.546405D+00
               131           132           133           134           135 
      1   0.363241D+01 -0.546405D+00 -0.495994D+00 -0.626178D+00  0.319011D+00
      2   0.764776D+01 -0.986767D+00 -0.626178D+00 -0.103155D+01  0.168794D+00
      3  -0.986767D+00  0.105640D+01  0.319011D+00  0.168794D+00 -0.182415D+00
               136           137           138           139           140 
      1  -0.821781D+00 -0.159047D+01  0.239466D+00 -0.507123D+00 -0.120535D+01
      2  -0.159047D+01 -0.229617D+01  0.380091D+00 -0.120535D+01 -0.915365D+01
      3   0.239466D+00  0.380091D+00 -0.290361D+00  0.111784D+00  0.101092D+01
               141           142           143           144           145 
      1   0.111784D+00  0.168133D+00  0.299374D+00  0.788045D-01  0.112046D+01
      2   0.101092D+01  0.299374D+00  0.121736D+01 -0.187877D+00  0.173411D+01
      3  -0.967482D+00  0.788045D-01 -0.187877D+00  0.115312D+00 -0.265384D+00
               146           147           148           149           150 
      1   0.173411D+01 -0.265384D+00  0.818219D+00  0.172409D+01 -0.149977D+00
      2   0.265215D+01 -0.399002D+00  0.172409D+01  0.104426D+02 -0.105741D+01
      3  -0.399002D+00  0.295228D+00 -0.149977D+00 -0.105741D+01  0.100918D+01
               151           152           153           154           155 
      1   0.217680D+00 -0.430662D+00  0.579262D-01 -0.563345D+01  0.341476D+01
      2  -0.430662D+00 -0.137705D+01  0.187936D+00  0.341476D+01 -0.354311D+01
      3   0.579262D-01  0.187936D+00 -0.119406D+00  0.269793D+00 -0.587251D-01
               156           157           158           159           160 
      1   0.269793D+00  0.376782D+01 -0.462351D+01  0.163935D+00  0.101027D+00
      2  -0.587251D-01 -0.462351D+01  0.628475D+01  0.648749D-02  0.267474D+00
      3  -0.447627D+00  0.163935D+00  0.648749D-02  0.738191D+00  0.407989D+00
               161           162           163           164           165 
      1   0.267474D+00  0.407989D+00 -0.752137D+00 -0.159309D+01  0.963139D+00
      2  -0.274340D+00  0.239966D+00 -0.159309D+01 -0.686220D+00  0.473620D+00
      3   0.239966D+00 -0.168086D+00  0.963139D+00  0.473620D+00 -0.318055D+00
               166           167           168           169           170 
      1  -0.275686D+01 -0.267090D+01  0.606873D+00  0.105189D+01  0.743648D+00
      2  -0.267090D+01 -0.556951D+01  0.829844D+00  0.743648D+00  0.641026D+00
      3   0.606873D+00  0.829844D+00 -0.939974D+00 -0.224182D+00 -0.657437D-01
               171           172           173           174           175 
      1  -0.224182D+00 -0.164423D+01  0.226657D+01  0.219780D+00  0.438147D+01
      2  -0.657437D-01  0.226657D+01 -0.167294D+01 -0.240029D+00 -0.234172D+01
      3   0.174288D+00  0.219780D+00 -0.240029D+00 -0.913454D+00 -0.557279D+00
               176           177           178           179           180 
      1  -0.234172D+01 -0.557279D+00 -0.129019D+00 -0.260584D+00 -0.127771D+01
      2   0.496122D+01  0.414248D+00 -0.260584D+00  0.293768D+00  0.566013D+00
      3   0.414248D+00  0.100930D+01 -0.127771D+01  0.566013D+00  0.382511D+00
               181           182           183           184           185 
      1   0.974062D+01  0.134080D+01 -0.155942D+01 -0.174712D+01 -0.192394D+01
      2   0.134080D+01 -0.144860D+01 -0.420868D+00 -0.192394D+01  0.246341D+01
      3  -0.155942D+01 -0.420868D+00 -0.284517D+01  0.808230D+00 -0.287042D+00
               186           187           188           189           190 
      1   0.808230D+00  0.268950D+01  0.413054D+00 -0.397790D+01  0.549016D+01
      2  -0.287042D+00  0.413054D+00  0.709700D-01 -0.313158D+01 -0.866984D+00
      3  -0.482085D+01 -0.397790D+01 -0.313158D+01 -0.581543D+00  0.287757D+01
               191           192           193           194           195 
      1  -0.866984D+00  0.287757D+01 -0.367247D+01 -0.547741D+00 -0.231868D+01
      2  -0.202276D+00 -0.940291D+00 -0.547741D+00  0.966202D-01  0.339865D+00
      3  -0.940291D+00  0.149263D+01 -0.231868D+01  0.339865D+00 -0.441758D+01
               196           197           198           199           200 
      1   0.476555D+01 -0.151170D+01  0.790539D+00  0.140381D+02  0.183759D+01
      2  -0.151170D+01  0.481892D+00 -0.258648D+01  0.183759D+01  0.101443D+01
      3   0.790539D+00 -0.258648D+01  0.115720D+01 -0.128176D+01 -0.187893D+00
               201           202           203           204           205 
      1  -0.128176D+01  0.545364D+01  0.159689D+01 -0.498051D+00 -0.168409D+01
      2  -0.187893D+00  0.159689D+01  0.138027D+01 -0.288603D+00 -0.218196D+00
      3   0.124963D+01 -0.498051D+00 -0.288603D+00  0.345245D+00  0.169797D+01
               206           207           208           209           210 
      1  -0.218196D+00  0.169797D+01 -0.933551D+00  0.448232D-01 -0.733500D+00
      2  -0.284317D+00 -0.162311D+00  0.448232D-01 -0.598618D+00 -0.104874D+00
      3  -0.162311D+00 -0.425113D+00 -0.733500D+00 -0.104874D+00 -0.546957D+00
               211           212           213           214           215 
      1  -0.182685D+01  0.197489D+01  0.124257D+01 -0.351399D+01  0.156541D+01
      2   0.197489D+01 -0.366809D+01 -0.253940D+01  0.156541D+01 -0.267601D+01
      3   0.124257D+01 -0.253940D+01 -0.298210D+01  0.226904D+01 -0.303169D+01
               216           217           218           219           220 
      1   0.226904D+01  0.746684D+00 -0.167703D+00  0.123678D+01 -0.145549D+01
      2  -0.303169D+01 -0.167703D+00 -0.164133D+00 -0.420044D+00  0.183799D+01
      3  -0.431753D+01  0.123678D+01 -0.420044D+00  0.926117D-01 -0.131904D+01
               221           222           223           224           225 
      1   0.183799D+01 -0.131904D+01  0.487519D+01 -0.199000D+01  0.283485D+01
      2  -0.240190D+01  0.169327D+01 -0.199000D+01  0.218299D+01 -0.263004D+01
      3   0.169327D+01 -0.246610D+01  0.283485D+01 -0.263004D+01  0.510561D+01
               226           227           228           229           230 
      1   0.513931D-01  0.421718D+00  0.100276D+01  0.150114D+01  0.373839D+00
      2   0.421718D+00  0.582737D+00  0.378410D+00  0.373839D+00  0.105434D+01
      3   0.100276D+01  0.378410D+00  0.235752D+01 -0.355570D+00  0.147838D+01
               231           232           233           234           235 
      1  -0.355570D+00  0.127172D+01  0.181243D+00  0.204315D+00  0.553873D+00
      2   0.147838D+01  0.181243D+00  0.128794D+01  0.168163D+01 -0.576625D+00
      3   0.354644D+01  0.204315D+00  0.168163D+01  0.754054D+01 -0.242725D+00
               236           237           238           239           240 
      1  -0.576625D+00 -0.242725D+00 -0.215805D+01  0.126727D-02  0.409998D+00
      2   0.117449D+01 -0.344231D+00  0.126727D-02 -0.509917D+01  0.111618D+01
      3  -0.344231D+00  0.113462D+01  0.409998D+00  0.111618D+01 -0.143726D+01
               241           242           243           244           245 
      1  -0.750894D+00 -0.243200D+00  0.618492D+00 -0.148327D+02 -0.181892D+01
      2  -0.243200D+00  0.333512D+00 -0.363275D+00 -0.181892D+01 -0.105206D+01
      3   0.618492D+00 -0.363275D+00  0.105699D+00  0.379933D+01  0.563946D+00
               246           247           248           249           250 
      1   0.379933D+01 -0.165149D+01 -0.129648D+01  0.252983D+00  0.124953D+01
      2   0.563946D+00 -0.129648D+01 -0.560979D+00  0.446373D+00  0.170414D+00
      3  -0.239476D+01  0.252983D+00  0.446373D+00  0.241091D+00 -0.147902D+01
               251           252           253           254           255 
      1   0.170414D+00 -0.147902D+01 -0.921661D+01  0.261353D+01 -0.440096D+01
      2  -0.151713D-01  0.671267D-01  0.261353D+01 -0.142375D+01  0.846162D+00
      3   0.671267D-01  0.955357D+00 -0.440096D+01  0.846162D+00 -0.297932D+01
               256           257           258           259           260 
      1   0.728596D+01 -0.197511D+01  0.262686D+01 -0.995633D+01  0.119685D+01
      2  -0.197511D+01  0.389917D+01 -0.232735D+01  0.119685D+01 -0.214665D+01
      3   0.262686D+01 -0.232735D+01  0.369265D+01 -0.586033D+01  0.266732D+01
               261           262           263           264           265 
      1  -0.586033D+01  0.896408D+00 -0.779283D+00  0.735937D+00 -0.473494D+01
      2   0.266732D+01 -0.779283D+00  0.935323D+00  0.109745D+01 -0.594628D+00
      3  -0.773412D+01  0.735937D+00  0.109745D+01  0.165080D+01  0.104518D+01
               266           267           268           269           270 
      1  -0.594628D+00  0.104518D+01  0.136957D+01  0.197949D+01  0.243704D+01
      2  -0.360603D+01  0.823542D+00  0.197949D+01  0.263992D+01  0.166308D+01
      3   0.823542D+00  0.111485D+01  0.243704D+01  0.166308D+01  0.443228D+01
               271           272           273           274           275 
      1  -0.145231D+01 -0.152371D+01 -0.142790D+01 -0.896033D+00 -0.123444D+01
      2  -0.152371D+01 -0.139539D+01 -0.108553D+01 -0.123444D+01 -0.268246D+01
      3  -0.142790D+01 -0.108553D+01 -0.150639D+01 -0.892039D+00 -0.148459D+01
               276           277           278           279 
      1  -0.892039D+00 -0.239557D+01 -0.206597D+01 -0.283033D+01
      2  -0.148459D+01 -0.206597D+01 -0.325299D+01 -0.324108D+01
      3  -0.173815D+01 -0.283033D+01 -0.324108D+01 -0.519965D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.547188D+00  0.507166D+01 -0.211698D+01  0.408834D+01 -0.136387D+01
      2  -0.111459D+02  0.433590D+01 -0.897682D+00  0.595910D+01 -0.316624D+01
      3   0.108052D+02  0.162842D+02 -0.161579D+01  0.365561D+02 -0.134413D+01
                 6             7             8             9            10 
      1   0.254396D+01 -0.105164D+01  0.144311D+02 -0.129986D+01 -0.357423D-01
      2  -0.720770D+00  0.271879D+01  0.195850D+01 -0.179781D+01 -0.209093D+01
      3  -0.251787D+01 -0.414361D+01 -0.273642D+01  0.513181D+01 -0.205877D+02
                11            12            13            14            15 
      1   0.357566D+01  0.399664D+01 -0.335770D-01  0.140181D+00 -0.184327D+01
      2   0.868390D+00  0.656369D+01  0.161934D+01 -0.236355D+01 -0.260108D+01
      3   0.354558D+01 -0.722025D-01 -0.201318D+02 -0.103347D+02  0.288050D+01
                16            17            18            19            20 
      1   0.123589D+02  0.544234D+01 -0.266414D+01 -0.260653D+01 -0.430005D+01
      2  -0.454542D+01 -0.114812D+02  0.147594D+00  0.823670D+01 -0.592477D+01
      3   0.335983D+01  0.108129D+01 -0.291262D+00 -0.393608D+02 -0.276763D+02
                21            22            23            24            25 
      1   0.109699D+01 -0.103817D+01  0.247140D+01 -0.281333D+01 -0.725575D+01
      2   0.274748D+01 -0.670088D+01  0.532936D+01  0.293790D+01 -0.170124D+02
      3   0.489514D+01  0.984031D+01  0.805173D+01 -0.275141D+01  0.426291D+01
                26            27            28            29            30 
      1   0.253675D+01  0.689346D+00  0.120134D+01  0.505795D+01 -0.100939D+01
      2   0.189486D+02 -0.186460D+01 -0.138211D+02  0.879971D+01 -0.320487D+01
      3  -0.130853D+01 -0.103653D+02  0.325928D+02  0.395866D+02 -0.644409D+01
                31            32            33            34            35 
      1   0.436631D+01 -0.495257D-01  0.345549D+00 -0.493859D+01  0.718511D+01
      2  -0.683281D+01 -0.179205D+01  0.129972D+01 -0.180318D+02  0.112515D+01
      3   0.699675D+02 -0.321209D+02 -0.245223D+01 -0.788255D+01 -0.157339D+01
                36            37            38            39            40 
      1   0.460791D-01 -0.157791D+00  0.341017D+01 -0.556478D+00  0.336540D+01
      2   0.133507D+01  0.125470D+02  0.241727D+01 -0.325607D+00  0.116459D+02
      3   0.635933D+00 -0.164694D+02  0.462487D+02 -0.494307D+01  0.212522D+02
                41            42            43            44            45 
      1  -0.367572D+01 -0.391704D+00 -0.409713D+01  0.859145D+01 -0.692677D+00
      2  -0.520040D+01 -0.349181D+00 -0.214000D+02  0.213348D+01  0.150119D+01
      3  -0.294558D+02  0.154023D+01  0.243564D+01 -0.289505D+01  0.989309D+00
                46            47            48            49            50 
      1   0.191026D+01 -0.532125D+01 -0.334442D+01 -0.999249D+00  0.219208D+01
      2   0.203854D+00 -0.454382D+01 -0.416152D+01 -0.149728D+01  0.206795D+01
      3   0.365690D+02 -0.353076D+02  0.322060D+01 -0.733613D+01  0.339657D+02
                51            52            53            54            55 
      1  -0.184465D+01 -0.789162D+01 -0.317550D+01  0.174941D+01  0.172388D+01
      2  -0.216974D+01 -0.226826D+02 -0.337626D+01  0.411861D+01  0.309125D+01
      3  -0.185532D+01  0.169632D+01  0.223675D+01  0.112531D+02  0.345705D+02
                56            57            58            59            60 
      1  -0.159536D+01 -0.363994D+01 -0.275053D+01  0.182114D+01 -0.278274D+01
      2  -0.600392D+01  0.831784D+00 -0.325019D+01  0.417671D+01 -0.451760D+00
      3  -0.350854D+02  0.185708D+01 -0.723148D+01  0.264630D+02 -0.148102D+01
                61            62            63            64            65 
      1  -0.919513D+01 -0.561746D+01  0.374679D+01 -0.152064D-01 -0.208685D+01
      2  -0.175920D+02  0.582758D+00  0.150396D+01 -0.340889D+01  0.167907D+01
      3   0.108023D+00  0.168120D+01  0.533806D+01 -0.183531D+02  0.661527D+01
                66            67            68            69            70 
      1   0.479887D+01  0.313270D+01 -0.195946D+01 -0.820510D+00  0.155492D+02
      2   0.259010D+01 -0.696055D+01 -0.297929D+00 -0.195122D+01 -0.437069D+01
      3  -0.154393D+01  0.906172D+01 -0.598090D+00 -0.163980D+01 -0.283340D+01
                71            72            73            74            75 
      1   0.580578D+01 -0.265328D+01 -0.604557D+01  0.191726D+01 -0.337427D+00
      2  -0.890283D+01  0.226178D+01  0.157991D+02 -0.158908D+01 -0.897496D+00
      3  -0.807791D+00 -0.694212D+01 -0.407214D+02  0.128651D+02  0.539163D+00
                76            77            78            79            80 
      1   0.155181D+01  0.519043D+01 -0.262487D+00  0.241450D+01  0.137592D+02
      2   0.535176D+00 -0.494680D+00  0.199005D+01 -0.828454D+01  0.234387D+01
      3   0.334426D+02 -0.115030D+02  0.116882D+01 -0.220388D+01 -0.157904D+01
                81            82            83            84            85 
      1  -0.254272D+01 -0.273622D+00 -0.112444D+01  0.928112D+00 -0.160483D+01
      2   0.169497D+01 -0.185410D+02  0.516868D+00  0.248911D+00  0.806465D+01
      3  -0.445697D+01  0.162870D+02 -0.414519D+02  0.502907D+01 -0.118230D+02
                86            87            88            89            90 
      1  -0.986055D+00 -0.774040D+00 -0.486825D+01  0.345422D+01 -0.787016D+00
      2   0.794712D+00  0.165738D+01 -0.187832D+02  0.977593D+01 -0.457085D+00
      3   0.604215D+01 -0.922189D+00  0.879400D+00  0.229504D+01 -0.239150D+01
                91            92            93            94            95 
      1   0.329273D+01  0.194774D+01  0.589695D+00  0.510818D+01 -0.144145D+01
      2  -0.379244D+01  0.938415D+00 -0.922660D+00 -0.435191D+01 -0.436843D+00
      3   0.100158D+02  0.160623D+01  0.414863D+00  0.278777D+02 -0.157532D+02
                96            97            98            99           100 
      1  -0.500960D+01  0.367461D+01  0.201542D+01  0.145810D+01  0.101057D+01
      2  -0.907004D+01 -0.363423D+02 -0.798265D+01 -0.183111D+01  0.442523D+01
      3  -0.223772D+01  0.904186D+01 -0.104009D+01  0.152633D+02 -0.376154D+01
               101           102           103           104           105 
      1  -0.482800D+01  0.264629D+01  0.761323D-01 -0.119137D+01 -0.466712D+01
      2  -0.352714D+01  0.136289D+02 -0.114827D+01 -0.172779D+01 -0.462143D+01
      3  -0.393839D+02  0.216937D+01 -0.265846D+01 -0.830585D+01  0.151213D+01
               106           107           108           109           110 
      1   0.141160D+01 -0.139009D+01  0.124106D+00  0.149322D+01  0.170805D+01
      2  -0.576116D+01  0.286692D+01 -0.971508D+00  0.165551D+01  0.448479D+01
      3   0.550030D+00  0.443800D+01 -0.362075D+01  0.357327D+02  0.495423D+01
               111           112           113           114           115 
      1  -0.118393D+01  0.120211D+01 -0.680862D+00  0.567856D+01 -0.106424D+02
      2  -0.108670D+01  0.562338D+01  0.445900D+01  0.352490D+02 -0.161266D+02
      3  -0.673404D+01  0.198415D+02 -0.253065D+02 -0.636331D+01 -0.618257D+01
               116           117           118           119           120 
      1   0.827893D+01 -0.223093D+01 -0.140334D+01  0.462603D+00  0.169916D+01
      2   0.279974D+02 -0.696679D+01 -0.225501D+01  0.572310D+00  0.162130D+01
      3  -0.479940D+01 -0.280627D+02 -0.532546D+01 -0.453540D+01  0.776013D+00
               121           122           123           124           125 
      1  -0.346224D-01 -0.215506D+00 -0.277541D+01 -0.246053D+01  0.108242D+01
      2   0.499742D-01 -0.259641D+00 -0.302522D+01 -0.250431D+01  0.108666D+00
      3  -0.559873D+01  0.128467D+02 -0.100984D+00  0.185055D+01 -0.798033D+00
               126           127           128           129           130 
      1   0.343974D+00  0.126963D+00  0.206233D+00 -0.144168D+01  0.283917D+00
      2   0.625212D+00 -0.859770D+00 -0.100925D+01  0.178847D+01 -0.968183D+00
      3   0.102422D+01 -0.406046D+01 -0.368633D+01  0.740814D+00 -0.228211D+01
               131           132           133           134           135 
      1  -0.175140D+00 -0.372756D+01 -0.492517D-01  0.177206D+01  0.420891D+00
      2  -0.261641D+01  0.374692D+01 -0.139281D+01 -0.916213D-01 -0.373526D+00
      3  -0.184534D+02  0.206004D+01  0.907724D+00  0.223715D+01  0.240356D+00
               136           137           138           139           140 
      1   0.340578D+00  0.108995D+00 -0.149256D+01 -0.334055D-01 -0.506203D+00
      2   0.948949D+00  0.928761D+00  0.423899D-01  0.633874D+00  0.186205D+01
      3   0.782189D+01  0.564673D+01 -0.124337D+01  0.617200D+01  0.184295D+02
               141           142           143           144           145 
      1  -0.425932D+01  0.817111D+00  0.276206D+01  0.158951D+00  0.999019D+00
      2  -0.520655D+00 -0.556573D-01 -0.218826D-01 -0.158958D+00  0.426771D+00
      3  -0.216556D+01 -0.164286D+01 -0.283560D+01 -0.351747D+00  0.556629D+01
               146           147           148           149           150 
      1   0.103156D+01 -0.181210D+01  0.702118D+00  0.271802D+01 -0.525043D+01
      2  -0.395661D-02  0.838814D+00  0.294018D+00 -0.133942D+00  0.122876D+01
      3   0.296324D+01 -0.864345D+00  0.537765D+01  0.384524D+01 -0.626795D+00
               151           152           153           154           155 
      1   0.144269D+01  0.205187D+01  0.310900D+00  0.900457D-01 -0.463715D+00
      2  -0.938274D+00  0.880352D+00 -0.543875D+00 -0.293116D-01 -0.208753D+00
      3  -0.834085D+00 -0.114139D+01 -0.839835D+00 -0.100080D+02  0.128208D+01
               156           157           158           159           160 
      1   0.255037D+01 -0.168548D+01  0.150873D+01 -0.347569D+01 -0.274659D+01
      2   0.182395D+01 -0.774056D+00  0.499639D+00 -0.258958D+01 -0.211030D+01
      3   0.445956D+00  0.372478D+01  0.760695D+00  0.286327D+00  0.138486D+01
               161           162           163           164           165 
      1   0.849862D+00  0.608728D+00  0.950858D+00  0.566561D+00 -0.114464D+01
      2  -0.656225D-01  0.275284D+00 -0.385505D+00  0.702343D-01 -0.835031D-01
      3   0.208603D+00  0.113034D+01 -0.230481D+00  0.167220D+00 -0.908829D+00
               166           167           168           169           170 
      1  -0.358108D+00 -0.190348D+01 -0.316614D+01 -0.755325D+00  0.237299D+01
      2   0.942284D+00 -0.172241D+00  0.145249D+01 -0.183285D+01 -0.131964D+01
      3   0.425167D+01 -0.475023D+01  0.178601D+00 -0.278876D+01  0.142101D+00
               171           172           173           174           175 
      1   0.552001D+00  0.114077D+01 -0.813216D+00  0.884072D+00 -0.403542D+00
      2   0.447498D+00 -0.965638D-04 -0.500310D+00  0.380365D+01 -0.324050D-01
      3   0.536599D+00  0.815113D+01 -0.662861D+01 -0.855300D+00 -0.230542D+01
               176           177           178           179           180 
      1   0.292200D+01 -0.228816D+01  0.192078D+00  0.134911D+01  0.281662D+00
      2   0.290647D+00 -0.367552D+01  0.263383D+01 -0.138831D+01 -0.713375D+00
      3   0.180827D+02  0.595110D+00 -0.159493D+01  0.122349D+01  0.103998D+01
               181           182           183           184           185 
      1   0.223392D+01 -0.548979D+01 -0.182926D+01 -0.341168D+01  0.687690D+01
      2  -0.128091D+02 -0.205426D+01  0.167753D+02 -0.402019D+01  0.537761D+01
      3  -0.158907D+01 -0.122940D+02  0.192431D+01 -0.115701D+02  0.143613D+02
               186           187           188           189           190 
      1  -0.499203D+01  0.821573D+00 -0.197552D+00 -0.908999D+01 -0.115490D+00
      2   0.165791D+02  0.128398D+02  0.108348D+02  0.886925D+01  0.840433D+01
      3   0.118711D+01  0.653827D+01 -0.614426D-01 -0.127413D+02 -0.755100D+01
               191           192           193           194           195 
      1  -0.704610D+01 -0.353672D+01 -0.813814D+01  0.174714D+01 -0.995972D+00
      2   0.481634D+01  0.350995D+01  0.175963D+02 -0.437414D-01  0.164247D+02
      3  -0.624150D+01 -0.591997D+01 -0.440863D+01  0.159797D+00  0.425543D+01
               196           197           198           199           200 
      1   0.102445D+01 -0.115484D+01  0.633154D+00 -0.149021D+01 -0.826513D+00
      2  -0.577582D+01  0.892567D+01 -0.144104D+02 -0.396728D+01 -0.788570D+00
      3  -0.535602D+01  0.173329D+02 -0.113168D+02 -0.209626D+02 -0.110623D+02
               201           202           203           204           205 
      1   0.455513D+00 -0.757408D+00 -0.699987D+00 -0.651702D+00  0.155967D+01
      2   0.936735D+01 -0.162780D+01 -0.127212D+01  0.243135D+01  0.811146D+01
      3   0.226298D+01 -0.119459D+02 -0.960299D+01  0.206853D+01  0.254429D+01
               206           207           208           209           210 
      1   0.317655D+00 -0.872744D-01  0.440913D+00  0.897982D-01 -0.114534D+01
      2  -0.982490D+00 -0.223354D+01 -0.566737D+01 -0.874660D+00 -0.260388D+01
      3   0.229485D+01  0.331573D+00  0.203693D+01  0.274298D+01  0.150806D+01
               211           212           213           214           215 
      1   0.491365D+00  0.226873D+00 -0.341130D+01  0.197623D+01  0.257372D+00
      2   0.450676D+01 -0.131893D+02 -0.170179D+02  0.863637D+01 -0.172004D+02
      3  -0.862240D+01  0.255933D+02  0.146747D+02 -0.585293D+01  0.172922D+02
               216           217           218           219           220 
      1  -0.417270D+01  0.337367D+00 -0.233245D+00 -0.599377D-01 -0.148437D+01
      2  -0.236236D+02  0.811234D+01 -0.254167D+01  0.126277D+01 -0.659976D+01
      3   0.180517D+02  0.119693D+01 -0.369239D+00  0.167487D+01 -0.898366D+01
               221           222           223           224           225 
      1   0.182612D+01 -0.393802D+01  0.388359D+01 -0.966704D+00  0.668996D+01
      2   0.986054D+01 -0.149965D+02  0.130680D+02 -0.161197D+02  0.302544D+02
      3   0.177266D+02 -0.100801D+02  0.792221D+01 -0.148359D+02  0.159416D+02
               226           227           228           229           230 
      1   0.130600D+01  0.262318D+01  0.117361D+01  0.177019D+01  0.371455D+01
      2  -0.557969D+01 -0.215300D+01 -0.939381D+01 -0.229318D+01 -0.607089D+01
      3   0.144671D+01  0.208723D+01  0.113942D+00  0.309801D+01  0.333567D+01
               231           232           233           234           235 
      1   0.294812D+01  0.672537D+00  0.578401D+01  0.656194D+01 -0.291656D+01
      2  -0.121454D+02 -0.567498D+01 -0.701582D+01 -0.274746D+02 -0.159452D+01
      3   0.403598D+01 -0.766199D-01  0.386939D+01  0.429776D+01 -0.690449D+01
               236           237           238           239           240 
      1   0.293275D+01  0.114340D+01  0.137719D+01 -0.113002D+02 -0.140492D+01
      2   0.262316D+01 -0.285322D+01  0.263690D+01 -0.573809D+01  0.419657D+01
      3   0.571900D+01 -0.659699D+00  0.479625D+01 -0.210745D+02  0.376090D+01
               241           242           243           244           245 
      1   0.486791D+00  0.879736D+00 -0.151992D+01 -0.182723D+01 -0.280488D+01
      2  -0.172884D+01  0.131408D+01 -0.147856D+01  0.112110D+02  0.371918D+00
      3   0.860685D+00  0.811219D+00 -0.229649D+01 -0.190700D+01 -0.713464D+01
               246           247           248           249           250 
      1  -0.372813D+00 -0.216207D+01 -0.158405D+01 -0.511107D-01 -0.395937D+00
      2   0.632656D+01  0.158148D+01 -0.161918D-01 -0.108524D+01  0.202138D+01
      3   0.158819D+01 -0.330159D+01 -0.329599D+01  0.133639D+01 -0.918651D+00
               251           252           253           254           255 
      1   0.877529D+00  0.779382D+00 -0.401127D+01  0.531703D+01  0.243155D+01
      2  -0.620324D+00 -0.148980D+01  0.824617D+01 -0.229974D+01  0.117078D+02
      3   0.112036D+01  0.767819D+00  0.850067D+01 -0.100432D+02  0.398810D+01
               256           257           258           259           260 
      1   0.435252D+01 -0.619621D+01 -0.134802D+01 -0.121845D+01  0.926133D+01
      2  -0.138497D+02  0.730877D+01 -0.142103D+02  0.185219D+02 -0.947138D+01
      3  -0.124712D+01  0.185057D+02 -0.919507D+01 -0.419583D+01 -0.178085D+02
               261           262           263           264           265 
      1  -0.595695D+00  0.336407D+01  0.789593D+00  0.214950D+01 -0.201665D+01
      2   0.332210D+02 -0.493051D+01 -0.548481D+01 -0.389506D+01 -0.280434D+01
      3   0.872184D+01 -0.351931D+00  0.318656D+01  0.392525D+01  0.161803D+01
               266           267           268           269           270 
      1   0.382057D+01 -0.593813D+01  0.148481D+01  0.155429D+01  0.656160D+01
      2  -0.202811D+01 -0.376931D+01 -0.813752D+01 -0.514520D+01 -0.144222D+02
      3  -0.173938D+02  0.333738D+01  0.725805D+01  0.735345D+01  0.375682D+01
               271           272           273           274           275 
      1  -0.516753D+00  0.116627D+00 -0.152015D+01 -0.949082D+00 -0.678192D+00
      2   0.356289D+01  0.351576D+01  0.474745D+01  0.202242D+01  0.499322D+01
      3  -0.348325D+01 -0.434550D+01 -0.270260D+01 -0.224024D+01 -0.854483D+01
               276           277           278           279 
      1  -0.253337D+01 -0.186961D+01 -0.425663D+00 -0.594729D+01
      2   0.577687D+01  0.734127D+01  0.110573D+02  0.185623D+02
      3  -0.449568D+01 -0.509394D+01 -0.113974D+02 -0.107753D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.135799D+03 -0.375668D+02 -0.596929D+01  0.113964D+02 -0.313991D+02
      2  -0.746028D+02  0.239199D+02  0.156506D+01 -0.137068D+02  0.313322D+02
      3  -0.611961D+02  0.136469D+02  0.440422D+01  0.231043D+01  0.668496D-01
      4  -0.170043D+02  0.297705D+02 -0.187742D+01 -0.302337D+02 -0.641794D+02
      5  -0.962301D+00 -0.129519D+01  0.293815D+00  0.734085D+01  0.609806D+01
      6  -0.255368D+00  0.105304D+01  0.324942D+01  0.587336D+01 -0.338920D+01
                 6             7             8             9            10 
      1   0.435523D+01 -0.323920D+01  0.789392D+01  0.266707D+02  0.121383D+01
      2  -0.467789D+01  0.383585D+01 -0.685004D+01 -0.241917D+02 -0.225113D+00
      3   0.322666D+00 -0.596650D+00 -0.104388D+01 -0.247904D+01 -0.988719D+00
      4   0.926943D+01  0.954948D+01  0.242723D+01 -0.350819D+01  0.332034D+02
      5  -0.180006D+01  0.503039D+02 -0.962354D+01 -0.358185D+01  0.369647D+01
      6  -0.288078D+01  0.252996D+00  0.294842D+01  0.159981D+01 -0.542051D+01
                11            12            13            14            15 
      1   0.596422D+02 -0.457180D+01 -0.800628D+02  0.360833D+02  0.241487D+01
      2  -0.408868D+02  0.142580D+01  0.543110D+02 -0.295046D+02 -0.139215D+01
      3  -0.187554D+02  0.314601D+01  0.257518D+02 -0.657864D+01 -0.102272D+01
      4   0.377596D+02 -0.823829D+01  0.339556D+02  0.299511D+02 -0.852000D+01
      5  -0.939064D+01  0.142864D+02  0.444192D+01 -0.679776D+01 -0.730701D+01
      6   0.356128D+01 -0.794451D+01 -0.607101D+01  0.279089D+01  0.452893D+01
                16            17            18            19            20 
      1   0.121546D+02 -0.121132D+02  0.206205D+01 -0.109574D+03  0.136839D+02
      2  -0.110723D+02  0.938198D+01 -0.728792D+01  0.502696D+02 -0.466213D+01
      3  -0.108229D+01  0.273122D+01  0.522587D+01  0.593044D+02 -0.902177D+01
      4  -0.737494D+01 -0.919271D+01 -0.165282D+02  0.167262D+02 -0.360063D+02
      5   0.281029D+02 -0.174327D+02  0.257847D+01  0.739556D+01  0.664039D+01
      6  -0.172532D+02  0.107195D+02  0.253537D+01  0.546941D+01  0.874323D+00
                21            22            23            24            25 
      1   0.637958D+01  0.880223D+02 -0.116026D+02 -0.736739D+01  0.150137D+01
      2  -0.316118D+01 -0.553592D+02 -0.476623D+01  0.602570D+01  0.150440D+01
      3  -0.321840D+01 -0.326631D+02  0.163688D+02  0.134169D+01 -0.300577D+01
      4   0.590101D+01 -0.892892D+01  0.252133D+02  0.183087D+01  0.308850D+01
      5   0.285767D+01 -0.405392D+01  0.300952D+01  0.768888D+01  0.445754D+01
      6  -0.501153D+00  0.149160D+01  0.550886D+01  0.403287D+01  0.411498D+01
                26            27            28            29            30 
      1   0.219622D+01 -0.172826D+02  0.895052D+02 -0.436443D+01 -0.823252D+01
      2   0.316948D+01  0.238989D+01 -0.390938D+02  0.253088D+00  0.292078D+01
      3  -0.536570D+01  0.148927D+02 -0.504114D+02  0.411134D+01  0.531174D+01
      4   0.864573D+01  0.258460D+02 -0.163951D+02  0.676623D+01  0.159750D+00
      5   0.270591D+02 -0.354146D+01 -0.577243D+01 -0.178630D+01 -0.555918D+01
      6   0.161879D+02 -0.170615D+01 -0.391737D+01  0.139576D+01  0.145596D+01
                31            32            33            34            35 
      1   0.921892D+02 -0.349430D+02 -0.545386D+01 -0.189786D+02  0.310771D+01
      2  -0.439637D+02  0.290026D+02  0.105385D+01  0.824487D+01 -0.271666D+01
      3  -0.482254D+02  0.594041D+01  0.440001D+01  0.107337D+02 -0.391047D+00
      4  -0.180705D+02  0.131416D+02 -0.220388D-01  0.336512D+01 -0.112555D+01
      5   0.412419D+01 -0.215850D+01  0.942584D+00  0.832902D+00  0.227773D+01
      6  -0.266497D+01  0.873751D+00 -0.838073D+00  0.357403D+01  0.310417D+01
                36            37            38            39            40 
      1  -0.602710D+01 -0.884086D+02  0.536095D+02  0.522598D+00 -0.873494D+02
      2  -0.270489D+01  0.482968D+02 -0.348927D+02 -0.129138D+01  0.469625D+02
      3   0.873199D+01  0.401119D+02 -0.187168D+02  0.768781D+00  0.403870D+02
      4   0.220509D+01  0.548767D+02 -0.376653D+01 -0.318319D+01 -0.802303D+01
      5   0.201585D+01 -0.340625D+00 -0.172401D+01  0.895073D+00 -0.123819D+01
      6   0.115798D+01 -0.168823D+01 -0.127240D+01  0.800309D+00  0.427299D+01
                41            42            43            44            45 
      1  -0.624566D+00  0.677999D+01  0.146434D+02 -0.674777D+01 -0.122753D+02
      2   0.363690D+01 -0.481152D+01 -0.752225D+01  0.343981D+01 -0.984368D+00
      3  -0.301234D+01 -0.196848D+01 -0.712116D+01  0.330795D+01  0.132597D+02
      4  -0.393877D+01  0.136323D+01 -0.460249D+01  0.115248D+01  0.944886D+00
      5   0.272943D+01 -0.862008D-01 -0.117863D+01 -0.140977D+01  0.176006D+01
      6  -0.307941D+01  0.408565D-01  0.188570D+01  0.176897D+01  0.540211D+00
                46            47            48            49            50 
      1  -0.373266D+00 -0.560764D+02  0.278259D+01  0.227056D+01  0.245224D+02
      2  -0.459296D+01  0.373237D+02 -0.666245D+00 -0.580423D+01 -0.231652D+02
      3   0.496623D+01  0.187527D+02 -0.211635D+01  0.353366D+01 -0.135724D+01
      4  -0.406696D+02 -0.314831D+02  0.543547D+01  0.323136D+02 -0.170965D+02
      5  -0.142276D+01  0.598285D+01 -0.987386D+01 -0.188281D+01 -0.449911D+00
      6   0.513674D+01  0.173906D+01  0.609731D+01  0.562140D-01  0.541472D+01
                51            52            53            54            55 
      1  -0.517210D+01 -0.246834D+01 -0.357143D+00 -0.219438D+02  0.166536D+02
      2   0.505665D+01  0.304624D+01  0.555727D+01  0.781983D+01 -0.126717D+02
      3   0.115457D+00 -0.577902D+00 -0.520013D+01  0.141239D+02 -0.398195D+01
      4  -0.146220D+01 -0.210348D+00  0.451828D+01 -0.105458D+02  0.567167D+01
      5  -0.211410D+01 -0.759379D-01 -0.127583D+02  0.640690D+01  0.722155D+01
      6   0.462064D+01  0.218771D+01  0.209467D+02 -0.430932D+01  0.171193D+01
                56            57            58            59            60 
      1  -0.516848D+02 -0.167462D+00  0.131179D+02  0.208997D+01 -0.373527D+01
      2   0.453940D+02 -0.135218D+00 -0.132143D+02 -0.112956D+02  0.467909D+01
      3   0.629078D+01  0.302680D+00  0.964146D-01  0.920562D+01 -0.943815D+00
      4  -0.670996D+01  0.852425D+00  0.271091D+01 -0.108823D+02  0.219945D+01
      5   0.380087D+01 -0.100256D+01 -0.210433D+01  0.188128D+01  0.141391D+01
      6   0.602539D+01  0.684505D+01  0.109044D+01  0.731543D+01  0.671130D+01
                61            62            63            64            65 
      1  -0.541808D+01  0.461482D+00 -0.243985D+02 -0.914155D+01  0.705025D+02
      2   0.566075D+01  0.325867D+01  0.148233D+02  0.260819D+01 -0.612083D+02
      3  -0.242671D+00 -0.372015D+01  0.957519D+01  0.653336D+01 -0.929411D+01
      4   0.972362D+00  0.562841D+01  0.701538D+01  0.665273D+01 -0.158441D+02
      5   0.407171D+01  0.134828D+01  0.201603D+01 -0.992789D+00 -0.484622D+01
      6   0.668811D+01  0.267776D+02 -0.399064D+01 -0.331976D+01 -0.311316D+00
                66            67            68            69            70 
      1  -0.488671D+01 -0.237754D+02  0.365703D+02 -0.592025D+01  0.105165D+02
      2   0.412649D+01  0.265942D+02 -0.403027D+02  0.318240D+01 -0.871926D+01
      3   0.760216D+00 -0.281877D+01  0.373237D+01  0.273785D+01 -0.179720D+01
      4   0.173051D+00  0.115113D+02  0.113501D+02 -0.324705D+01 -0.354437D+01
      5   0.646840D+01  0.139828D+01 -0.573001D+01 -0.569040D+01  0.247746D+02
      6  -0.827903D+01 -0.725982D+01  0.100405D+01  0.421643D+01 -0.210836D+02
                71            72            73            74            75 
      1  -0.159901D+02 -0.122983D+02 -0.512115D+00  0.677523D+01  0.129129D+01
      2   0.136952D+02  0.326955D+01 -0.120702D+02 -0.970661D+01  0.201738D+01
      3   0.229489D+01  0.902876D+01  0.125823D+02  0.293138D+01 -0.330866D+01
      4  -0.871618D+00 -0.116197D+02  0.195804D+02  0.960554D+01 -0.212909D+01
      5  -0.781774D+01 -0.102807D+00 -0.610861D+01 -0.147966D+01  0.245333D+01
      6   0.149204D+02  0.606046D+01  0.222485D+01 -0.282308D+01 -0.237327D+01
                76            77            78            79            80 
      1   0.307398D+02 -0.720327D+02  0.437799D+01  0.119928D+02  0.504296D+01
      2  -0.209264D+02  0.706321D+02 -0.587607D+01 -0.220657D+01 -0.679691D+01
      3  -0.981350D+01  0.140061D+01  0.149808D+01 -0.978626D+01  0.175395D+01
      4  -0.411973D+02 -0.163173D+01  0.190484D+01  0.630636D+01 -0.194924D+01
      5   0.577146D+01  0.390547D+01  0.280304D+01  0.298630D+02 -0.262303D+01
      6   0.432247D+01  0.300098D+01 -0.177662D+01 -0.713706D+01  0.409273D+01
                81            82            83            84            85 
      1  -0.279744D+01  0.572075D+02 -0.578228D+02 -0.191803D+00  0.796540D+01
      2  -0.855372D+01 -0.324807D+02  0.446873D+02 -0.223907D+01 -0.176301D+02
      3   0.113512D+02 -0.247268D+02  0.131355D+02  0.243087D+01  0.966468D+01
      4   0.401830D+01 -0.496212D+02  0.252061D+01  0.448674D+01  0.240310D+02
      5  -0.394676D+01  0.497346D+01  0.418966D+01 -0.338213D+01 -0.206909D+01
      6   0.281865D+01  0.275897D+01  0.340074D+01  0.394643D+00  0.145374D+01
                86            87            88            89            90 
      1   0.319327D+02 -0.113408D+01 -0.452777D+01  0.685325D+01 -0.878613D+01
      2  -0.356278D+02  0.449556D+01  0.187249D+01  0.626479D+00 -0.576149D+01
      3   0.369506D+01 -0.336149D+01  0.265528D+01 -0.747973D+01  0.145476D+02
      4  -0.445500D+01 -0.157902D+00  0.660011D+01  0.206959D+01  0.389390D+01
      5   0.366219D+00  0.540171D+01  0.321574D+01  0.100604D+02 -0.584742D+00
      6   0.930681D+00  0.267805D+01  0.276482D+01  0.758251D+01 -0.258694D+01
                91            92            93            94            95 
      1   0.181516D+02  0.892837D+01 -0.400246D+01 -0.524326D+00 -0.121598D+02
      2  -0.120719D+02 -0.308362D+01 -0.504862D+01  0.106704D+02  0.191676D+01
      3  -0.607970D+01 -0.584475D+01  0.905108D+01 -0.101461D+02  0.102431D+02
      4  -0.289265D+01 -0.158448D+02 -0.228315D+01 -0.293905D+02  0.312157D+02
      5   0.472677D+01 -0.228939D+01 -0.110950D+02  0.440869D+01  0.523083D+01
      6  -0.408876D+01  0.344932D+01 -0.311799D+01  0.481229D+01 -0.508156D+01
                96            97            98            99           100 
      1  -0.463738D+01 -0.155714D+02 -0.371201D+01 -0.121431D+02  0.217248D+01
      2  -0.584491D+01  0.386430D+01  0.103531D+00  0.856638D+01 -0.426166D+01
      3   0.104823D+02  0.117071D+02  0.360848D+01  0.357673D+01  0.208918D+01
      4   0.411724D+01 -0.416429D+01  0.845485D+00 -0.234731D+02  0.276893D+02
      5  -0.224615D+02 -0.507118D+02 -0.182105D+02  0.950169D+01 -0.121219D+01
      6  -0.365038D+01 -0.922043D+01 -0.400780D+01  0.317918D+01  0.152186D-01
               101           102           103           104           105 
      1   0.335137D+02  0.151036D+01  0.903439D+01  0.103527D+02 -0.350527D+01
      2  -0.203580D+02  0.113904D+01 -0.168259D+01 -0.403024D+01  0.247986D+01
      3  -0.131557D+02 -0.264940D+01 -0.735180D+01 -0.632241D+01  0.102541D+01
      4   0.526058D+01  0.178231D+00  0.333737D+02  0.156201D+02 -0.376055D+01
      5   0.147660D+00  0.266669D+02 -0.502731D+01 -0.220340D+01 -0.804513D+01
      6  -0.176069D+01 -0.454190D+01 -0.150362D+01 -0.576284D-03  0.818855D+01
               106           107           108           109           110 
      1   0.317811D+00 -0.339336D+01  0.583442D+00 -0.658577D+02 -0.454242D+02
      2   0.127280D+01  0.287700D+01 -0.106653D+01  0.401539D+02  0.235753D+02
      3  -0.159061D+01  0.516357D+00  0.483084D+00  0.257038D+02  0.218489D+02
      4  -0.415964D+01 -0.468854D+00  0.707011D+01 -0.435610D+02  0.949157D+01
      5   0.960341D+01  0.565707D+01 -0.392697D+01  0.101968D+02  0.869550D+01
      6   0.273389D+01  0.391666D+01 -0.123288D+01  0.230289D+01 -0.168338D+01
               111           112           113           114           115 
      1   0.105154D+02 -0.548568D+02  0.449538D+01  0.176256D+02  0.989239D+01
      2  -0.639362D+01  0.271666D+02 -0.304905D+01 -0.855719D+01 -0.492896D+01
      3  -0.412180D+01  0.276902D+02 -0.144634D+01 -0.906842D+01 -0.496343D+01
      4   0.775909D+01 -0.194306D+02  0.234277D+02  0.922195D+01  0.101709D+02
      5  -0.761607D+01  0.135350D+02  0.884164D+01  0.680723D+02 -0.246444D+02
      6   0.149349D+01  0.588262D+00 -0.474861D+01 -0.192129D+02  0.110028D+02
               116           117           118           119           120 
      1   0.136903D+02  0.380009D+00  0.402301D+02 -0.126351D+02 -0.217708D+01
      2  -0.718703D+01 -0.290072D+01 -0.149159D+02 -0.733700D+00  0.119281D+01
      3  -0.650331D+01  0.252071D+01 -0.253142D+02  0.133688D+02  0.984271D+00
      4   0.542717D+01  0.468572D+02 -0.310730D+02  0.258823D+02  0.232411D+00
      5   0.498474D+02 -0.145994D+02 -0.725468D+00 -0.978767D+00  0.325301D+01
      6  -0.154604D+02 -0.475098D-01  0.521753D+00  0.124623D+00 -0.186129D+01
               121           122           123           124           125 
      1  -0.144000D+02  0.636926D+01 -0.312843D+00 -0.348189D+01  0.317626D+00
      2  -0.518902D+01  0.143956D+02  0.252003D+00  0.278287D+01 -0.955753D+00
      3   0.195890D+02 -0.207648D+02  0.608398D-01  0.699022D+00  0.638128D+00
      4   0.385829D+02 -0.435245D+02  0.672320D+00 -0.884916D+00  0.162364D+01
      5  -0.289781D+01  0.279028D+01 -0.513535D+01 -0.173509D+01 -0.943864D+00
      6   0.138023D+01 -0.124838D+01  0.449111D+01  0.109690D+01  0.137154D+01
               126           127           128           129           130 
      1  -0.139840D+01  0.353424D+01  0.765883D+01 -0.617280D+00  0.543535D+01
      2   0.123791D+01  0.358656D+01  0.170610D+01 -0.638033D-02  0.741999D+01
      3   0.160498D+00 -0.712080D+01 -0.936493D+01  0.623660D+00 -0.128553D+02
      4  -0.150513D+01  0.227792D+02  0.227739D+02 -0.364506D+01  0.303453D+02
      5   0.595877D+00 -0.212363D+01 -0.260554D+01  0.371760D+01 -0.285605D+01
      6  -0.509003D+00 -0.160291D+01 -0.195299D+01  0.228689D+01 -0.247517D+01
               131           132           133           134           135 
      1  -0.110965D+02  0.141424D+01 -0.672939D+00  0.366009D+00 -0.906714D+00
      2   0.281998D+02 -0.225846D+01 -0.484413D+00 -0.249115D+01  0.220058D+01
      3  -0.171032D+02  0.844216D+00  0.115735D+01  0.212515D+01 -0.129386D+01
      4   0.531042D+02 -0.656134D+01 -0.485404D+01 -0.750778D+01  0.250952D+01
      5  -0.413437D+01  0.667681D+01  0.270716D+01  0.861498D+00 -0.135127D+01
      6  -0.540192D+01  0.680600D+01  0.284434D+01  0.286751D+01 -0.181670D+01
               136           137           138           139           140 
      1  -0.680430D+01 -0.149845D+02  0.244308D+01 -0.714697D+01 -0.457736D+02
      2   0.707825D+01  0.145775D+02 -0.167379D+01  0.705192D+01  0.552013D+02
      3  -0.273953D+00  0.406982D+00 -0.769292D+00  0.950523D-01 -0.942771D+01
      4  -0.406383D+00  0.481280D+01 -0.610567D-01  0.276197D+01 -0.130883D+02
      5   0.473303D+00  0.392871D+00  0.792883D+00  0.840417D-01  0.377410D+01
      6  -0.133685D+01 -0.278756D+01  0.218846D+01 -0.956068D+00 -0.892900D+01
               141           142           143           144           145 
      1   0.543611D+01  0.150217D+01  0.644942D+01 -0.193482D+01 -0.561831D+01
      2  -0.482283D+01 -0.124506D+01 -0.673229D+01  0.214140D+01  0.921362D+01
      3  -0.613282D+00 -0.257103D+00  0.282875D+00 -0.206576D+00 -0.359531D+01
      4   0.180562D+01  0.368838D-01  0.133497D+01  0.153146D+01  0.757627D+01
      5  -0.211939D+01  0.139312D+01  0.469019D+00 -0.276350D+00  0.153253D+00
      6   0.757986D+01  0.772707D-01  0.317573D+01 -0.160376D+01 -0.996122D+00
               146           147           148           149           150 
      1  -0.104746D+02  0.183962D+01 -0.743337D+01 -0.513984D+02  0.544012D+01
      2   0.161011D+02 -0.191769D+01  0.106690D+02  0.731135D+02 -0.638315D+01
      3  -0.562644D+01  0.780723D-01 -0.323567D+01 -0.217151D+02  0.943026D+00
      4   0.156888D+02 -0.155275D+01  0.945390D+01  0.207596D+02 -0.173725D+01
      5  -0.103813D+00  0.209203D+01 -0.248415D+00  0.106893D+01  0.124078D+01
      6  -0.201881D+01  0.265247D+01 -0.864578D+00 -0.567783D+01  0.859360D+01
               151           152           153           154           155 
      1   0.949639D+00  0.697397D+01 -0.198424D+01  0.266008D+01  0.506087D+01
      2  -0.161812D+01 -0.894104D+01  0.250521D+01  0.961475D+01 -0.154671D+02
      3   0.668481D+00  0.196708D+01 -0.520967D+00 -0.122748D+02  0.104062D+02
      4  -0.120220D+01 -0.342458D+01  0.179485D+01 -0.279978D+02  0.244214D+02
      5  -0.795032D-01  0.174272D+01 -0.879897D+00 -0.153921D+01  0.358200D+00
      6  -0.681581D+00  0.351627D+01 -0.174671D+01  0.242708D+01 -0.205563D+01
               156           157           158           159           160 
      1   0.804564D-01  0.935952D+01 -0.195768D+02 -0.107798D+00 -0.165896D+01
      2   0.707110D-01 -0.220882D+02  0.362974D+02  0.736584D-01  0.182950D+01
      3  -0.151167D+00  0.127287D+02 -0.167207D+02  0.341398D-01 -0.170541D+00
      4   0.562373D+00  0.279805D+02 -0.340311D+02  0.205157D+00 -0.231906D+00
      5   0.348091D+01 -0.545232D+00  0.253579D+00 -0.365893D+01 -0.627702D-01
      6  -0.339975D+01 -0.945648D+00  0.227680D+01  0.574147D+01  0.180960D+01
               161           162           163           164           165 
      1   0.133797D+01 -0.149599D+00 -0.254378D-01 -0.127290D+01 -0.189787D+01
      2  -0.193313D+01  0.126186D+01  0.394400D+00  0.148803D+01  0.194054D+01
      3   0.595160D+00 -0.111226D+01 -0.368963D+00 -0.215130D+00 -0.426643D-01
      4   0.101979D+01 -0.181727D+01  0.315067D+01  0.639216D+01 -0.240945D+01
      5  -0.181440D+01  0.422822D+00 -0.644460D+01 -0.303866D+01  0.225495D+01
      6   0.239846D+01 -0.658292D+00 -0.301074D+01 -0.187526D+01  0.799477D+00
               166           167           168           169           170 
      1  -0.376903D+01 -0.163512D+02  0.232143D+01 -0.203027D+01  0.258812D+00
      2   0.538517D+01  0.192939D+02 -0.952318D+00  0.168161D+01 -0.789921D+00
      3  -0.161614D+01 -0.294264D+01 -0.136911D+01  0.348657D+00  0.531110D+00
      4   0.108466D+02  0.160021D+02 -0.231044D+01 -0.339619D+01 -0.280514D+01
      5  -0.298033D+01 -0.195836D+01  0.316509D+01  0.217996D+01 -0.254303D+00
      6  -0.311404D+01 -0.631114D+01  0.522160D+01  0.152695D+01  0.187745D+01
               171           172           173           174           175 
      1  -0.187412D+01  0.141900D+02 -0.127551D+02 -0.719802D+00 -0.185027D+02
      2   0.206698D+01 -0.225213D+01  0.357033D+01  0.905225D+00  0.545397D+01
      3  -0.192864D+00 -0.119378D+02  0.918479D+01 -0.185422D+00  0.130487D+02
      4   0.120083D+01 -0.222030D+02  0.192185D+02  0.247663D+01  0.247965D+02
      5  -0.960335D+00 -0.396098D+01  0.333776D+01  0.829470D+01  0.613600D+01
      6  -0.134204D+01  0.389594D+01 -0.283336D+01 -0.583520D+00 -0.392569D+01
               176           177           178           179           180 
      1   0.565297D+01  0.485748D+00  0.100526D+00  0.943649D+00  0.314847D+01
      2   0.948525D+01  0.135568D+00  0.110837D+01 -0.113081D+01 -0.160157D+01
      3  -0.151382D+02 -0.621316D+00 -0.120890D+01  0.187158D+00 -0.154690D+01
      4  -0.409444D+02 -0.384605D+01  0.327874D+01 -0.272925D+01 -0.504274D+01
      5  -0.486001D+01 -0.814841D+01  0.108811D+02 -0.449999D+01 -0.336812D+01
      6   0.824543D+01  0.415802D+01 -0.218677D+01  0.548948D+01  0.194062D+01
               181           182           183           184           185 
      1  -0.809654D+02 -0.141654D+02  0.285938D+02 -0.919979D+01  0.218961D+02
      2   0.438046D+02  0.131825D+02 -0.389813D+01  0.383612D+01 -0.157885D+02
      3   0.371608D+02  0.982883D+00 -0.246957D+02  0.536367D+01 -0.610760D+01
      4  -0.160658D+02  0.129981D+02  0.519141D+01  0.179364D+02 -0.169523D+02
      5   0.378550D+02  0.697923D+01  0.125665D+02 -0.222053D+01 -0.521045D+01
      6   0.360552D+01 -0.830555D+01 -0.442121D+00 -0.905980D+01  0.100202D+02
               186           187           188           189           190 
      1   0.156797D+02  0.106949D+02  0.120929D+02  0.221960D+02 -0.223581D+02
      2   0.933039D+01  0.696738D+01  0.443719D+01 -0.132022D+01  0.227392D+02
      3  -0.250101D+02 -0.176623D+02 -0.165301D+02 -0.208758D+02 -0.381113D+00
      4   0.759109D+00 -0.533986D+01  0.649931D+00  0.257557D+02  0.151308D+02
      5   0.312378D+02  0.276201D+02  0.198563D+02 -0.692200D+01 -0.326067D+02
      6   0.221539D+01  0.590355D+01  0.194926D+01 -0.169890D+02  0.493539D+01
               191           192           193           194           195 
      1   0.663594D+01 -0.125047D+02  0.242795D+02  0.322788D+01  0.131857D+02
      2  -0.430482D+01  0.169198D+02 -0.270600D+02 -0.824039D+01 -0.174000D+02
      3  -0.233111D+01 -0.441508D+01  0.278046D+01  0.501251D+01  0.421427D+01
      4  -0.165736D+01  0.776016D+01  0.171816D+01 -0.600469D+01 -0.664521D+00
      5   0.846291D+01 -0.152758D+02  0.239546D+02 -0.285725D+01  0.379763D+02
      6  -0.561889D+01  0.575195D+01  0.181917D+01  0.100971D+01 -0.204740D+01
               196           197           198           199           200 
      1  -0.329618D+02  0.106631D+02 -0.641429D+01  0.186742D+03  0.226684D+02
      2   0.256589D+02 -0.102358D+02  0.177116D+02 -0.995217D+02 -0.126871D+02
      3   0.730292D+01 -0.427223D+00 -0.112973D+02 -0.872202D+02 -0.998134D+01
      4   0.189899D+02 -0.217032D+02  0.253997D+02  0.219629D+02  0.165394D+02
      5  -0.179589D+02  0.237272D+02 -0.228229D+02 -0.198608D+02 -0.258112D+01
      6   0.933498D+01 -0.690771D+01  0.108971D+02 -0.280879D+00 -0.736852D+00
               201           202           203           204           205 
      1  -0.156593D+02  0.637569D+02  0.200868D+02 -0.580967D+01 -0.200976D+02
      2   0.949365D+01 -0.342719D+02 -0.103147D+02  0.367005D+01  0.122592D+02
      3   0.616561D+01 -0.294850D+02 -0.977209D+01  0.213962D+01  0.783838D+01
      4  -0.221177D+01  0.243237D+02  0.175374D+02 -0.365557D+01 -0.264881D+01
      5   0.190822D+02 -0.691095D+01 -0.383431D+01  0.524409D+01  0.245967D+02
      6  -0.582357D+00 -0.110459D+01 -0.668632D+00  0.176300D+01 -0.221745D+00
               206           207           208           209           210 
      1  -0.311165D+01  0.168986D+02 -0.164430D+01 -0.415554D+01 -0.117291D+02
      2   0.203873D+01 -0.101250D+02  0.591133D+00  0.234548D+01  0.501935D+01
      3   0.107292D+01 -0.677362D+01  0.105317D+01  0.181006D+01  0.670970D+01
      4  -0.350525D+01 -0.858623D+00 -0.114026D+01 -0.168925D+01  0.148553D+01
      5  -0.100301D+01 -0.597123D+01 -0.926941D+01  0.715581D+00 -0.260925D+01
      6   0.260811D+01 -0.428860D-01  0.233997D+01  0.100697D+01  0.201823D+01
               211           212           213           214           215 
      1  -0.162488D+02  0.105451D+01 -0.744590D+00 -0.308139D+02  0.112345D+01
      2   0.678940D+01  0.559091D+01  0.175859D+01  0.167873D+02  0.255816D+00
      3   0.945939D+01 -0.664542D+01 -0.101400D+01  0.140266D+02 -0.137926D+01
      4   0.262752D+02 -0.409442D+02 -0.266918D+02  0.193989D+02 -0.285964D+02
      5   0.152511D+02 -0.269424D+02 -0.336369D+02  0.281472D+02 -0.325354D+02
      6  -0.687150D+01  0.131756D+02  0.136204D+02 -0.912393D+01  0.139192D+02
               216           217           218           219           220 
      1  -0.372417D+00  0.163831D+02 -0.448520D+01  0.125724D+02 -0.146770D+02
      2  -0.549882D+01 -0.858530D+01  0.189160D+01 -0.573497D+01  0.537128D+01
      3   0.587124D+01 -0.779783D+01  0.259360D+01 -0.683743D+01  0.930572D+01
      4  -0.305788D+02 -0.515616D+01  0.243568D+01 -0.666683D+01  0.248282D+02
      5  -0.452475D+02  0.146753D+02 -0.617036D+01  0.433327D+01 -0.169781D+02
      6   0.151850D+02 -0.344723D+01  0.119743D+01  0.116958D+00  0.464187D+01
               221           222           223           224           225 
      1   0.764227D+01 -0.739415D+01  0.446780D+02 -0.114591D+02  0.103292D+02
      2   0.697659D+00  0.133136D+01 -0.240437D+02  0.392973D+01 -0.958326D+01
      3  -0.833993D+01  0.606279D+01 -0.206343D+02  0.752934D+01 -0.745908D+00
      4  -0.288553D+02  0.190514D+02 -0.252371D+02  0.253339D+02 -0.279100D+02
      5   0.201163D+02 -0.296237D+02  0.365716D+02 -0.305841D+02  0.592209D+02
      6  -0.648415D+01  0.995702D+01 -0.903801D+01  0.103185D+02 -0.130313D+02
               226           227           228           229           230 
      1  -0.119199D+01 -0.347814D+01 -0.182575D+02 -0.617507D+01 -0.105050D+02
      2  -0.315354D+01 -0.494047D+00 -0.112767D+01  0.424364D+01  0.948206D+00
      3   0.434553D+01  0.397218D+01  0.193852D+02  0.193144D+01  0.955675D+01
      4  -0.180655D+01 -0.369001D+01 -0.261189D+01 -0.188048D+01 -0.732012D+01
      5  -0.459636D+01 -0.325770D+00 -0.715981D+01  0.619248D+01 -0.708646D+01
      6   0.168946D+01  0.355280D+01  0.145370D+01  0.111374D+01  0.669536D+01
               231           232           233           234           235 
      1  -0.129381D+02 -0.113015D+02 -0.837239D+01 -0.346710D+02 -0.115183D+01
      2  -0.745338D+01  0.508131D+01 -0.378248D+01 -0.185709D+02  0.336406D+01
      3   0.203915D+02  0.622021D+01  0.121549D+02  0.532419D+02 -0.221224D+01
      4  -0.997814D+01 -0.124092D+01 -0.870597D+01 -0.124841D+02  0.315434D+01
      5  -0.219958D+02  0.710602D+01 -0.922019D+01 -0.429314D+02  0.190073D+01
      6   0.920144D+01  0.632327D+00  0.815138D+01  0.755862D+01 -0.225916D+01
               236           237           238           239           240 
      1   0.988023D+01 -0.522495D+01  0.127008D+02 -0.203070D+02  0.439109D+01
      2  -0.760261D+01 -0.792622D+00 -0.787248D+01  0.219544D+02 -0.216187D+00
      3  -0.227762D+01  0.601757D+01 -0.482835D+01 -0.164748D+01 -0.417490D+01
      4  -0.610798D+01  0.162840D+01  0.393468D+01  0.329075D+02 -0.732616D+01
      5  -0.833021D+00 -0.556299D+01 -0.839010D+01 -0.328790D+01  0.926613D+01
      6   0.579622D+01 -0.284990D+01  0.290031D+00 -0.213191D+02  0.881515D+01
               241           242           243           244           245 
      1   0.914306D+00  0.228796D+01 -0.760428D+01  0.114335D+03  0.105521D+02
      2  -0.225688D+01 -0.849218D+00  0.315311D+01 -0.662870D+02 -0.524584D+01
      3   0.134257D+01 -0.143874D+01  0.445117D+01 -0.480481D+02 -0.530624D+01
      4   0.155573D+01 -0.126419D+01  0.137818D+01  0.247117D+02  0.147272D+02
      5  -0.330058D+01  0.138777D+01  0.161725D+01 -0.645251D+02 -0.791186D+01
      6  -0.106255D+01  0.469075D+01 -0.104062D+01 -0.613773D+01 -0.517666D+01
               246           247           248           249           250 
      1  -0.219876D+02  0.827055D+01  0.784991D+01 -0.254270D+01 -0.756996D+01
      2   0.190878D+02 -0.358905D+01 -0.301875D+01  0.143391D+00  0.909088D+01
      3   0.289981D+01 -0.468150D+01 -0.483116D+01  0.239931D+01 -0.152092D+01
      4  -0.662851D+01  0.158915D+02  0.667793D+01 -0.439947D+01 -0.188773D+01
      5   0.305228D+02 -0.469550D+01 -0.608289D+01 -0.166111D+00  0.200799D+02
      6   0.378181D+01 -0.506998D+01 -0.284647D+01  0.285486D+01  0.242888D+01
               251           252           253           254           255 
      1  -0.171465D+01  0.874548D+01  0.725300D+02 -0.221909D+02  0.313561D+02
      2   0.303795D+00 -0.951908D+01 -0.470436D+02  0.126759D+02 -0.237214D+02
      3   0.141086D+01  0.773604D+00 -0.254864D+02  0.951505D+01 -0.763470D+01
      4  -0.171182D+01  0.451527D+00 -0.253868D+02  0.213638D+02 -0.790113D+01
      5   0.944073D+00 -0.116403D+02  0.537592D+02 -0.119577D+02  0.384923D+02
      6   0.163536D+01 -0.179307D+00 -0.739830D+01  0.728842D+01 -0.404307D+01
               256           257           258           259           260 
      1  -0.374705D+02  0.114995D+02 -0.765507D+01  0.446257D+02 -0.531527D+01
      2   0.266807D+02 -0.685713D+01  0.138595D+02 -0.395602D+02  0.104686D+02
      3   0.107898D+02 -0.464234D+01 -0.620445D+01 -0.506548D+01 -0.515329D+01
      4   0.249862D+02 -0.348155D+02  0.215100D+02 -0.142248D+02  0.282789D+02
      5  -0.288102D+02  0.219556D+02 -0.328698D+02  0.643491D+02 -0.244748D+02
      6   0.936406D+01 -0.138783D+02  0.138025D+02 -0.494392D+01  0.163197D+02
               261           262           263           264           265 
      1   0.130808D+02  0.659881D+00  0.119926D+02  0.107392D+01  0.122504D+02
      2  -0.389021D+02  0.293742D+01 -0.550326D+01 -0.191568D+00 -0.235117D+01
      3   0.258213D+02 -0.359730D+01 -0.648929D+01 -0.882355D+00 -0.989921D+01
      4  -0.236158D+02  0.297999D+01 -0.379028D+00 -0.103725D+02  0.125723D+02
      5   0.725505D+02 -0.707668D+01 -0.658235D+01 -0.914840D+01 -0.697111D+01
      6  -0.125222D+02 -0.200567D+01 -0.544039D+01 -0.793613D+01 -0.450812D+01
               266           267           268           269           270 
      1  -0.106693D+02 -0.467796D+01 -0.528682D+01 -0.474953D+01 -0.671509D+01
      2   0.280300D+02  0.403387D+01  0.254179D+01  0.117690D+01  0.584459D+01
      3  -0.173607D+02  0.644086D+00  0.274503D+01  0.357262D+01  0.870497D+00
      4   0.313293D+02 -0.997565D+01 -0.189490D+02 -0.207072D+02 -0.165510D+02
      5  -0.987865D+01 -0.924315D+01 -0.162525D+02 -0.149747D+02 -0.346085D+02
      6   0.464378D+01  0.797588D+00 -0.115661D+02 -0.551240D+01 -0.162341D+02
               271           272           273           274           275 
      1   0.882175D+01  0.664352D+01  0.714835D+01  0.369768D+01 -0.253077D+01
      2  -0.440361D+01 -0.296076D+01 -0.448104D+01  0.314048D+00  0.552141D+01
      3  -0.441814D+01 -0.368276D+01 -0.266731D+01 -0.401173D+01 -0.299065D+01
      4   0.161915D+02  0.142166D+02  0.123536D+02  0.123968D+02  0.210849D+02
      5   0.144977D+02  0.110611D+02  0.152749D+02  0.824134D+01  0.114514D+02
      6   0.813046D+01  0.618745D+01  0.706986D+01  0.580851D+01  0.110221D+02
               276           277           278           279 
      1  -0.137551D+01  0.693859D+01 -0.160066D+01 -0.198055D+01
      2   0.223681D+01 -0.608926D+01  0.960235D-01 -0.628319D+01
      3  -0.861298D+00 -0.849321D+00  0.150463D+01  0.826373D+01
      4   0.123900D+02  0.208406D+02  0.273133D+02  0.281658D+02
      5   0.129723D+02  0.255141D+02  0.255998D+02  0.405618D+02
      6   0.956421D+01  0.133171D+02  0.181009D+02  0.229805D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Sep 23 14:16:58 2021, MaxMem=  5368709120 cpu:           32574.0 elap:            4083.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31896 -19.29968 -19.25989 -10.44017 -10.36748
 Alpha  occ. eigenvalues --  -10.35852 -10.32660 -10.31589 -10.31454 -10.31180
 Alpha  occ. eigenvalues --  -10.31034 -10.30946 -10.30509 -10.30471 -10.30345
 Alpha  occ. eigenvalues --  -10.30083 -10.29688  -1.20901  -1.16520  -1.11534
 Alpha  occ. eigenvalues --   -0.97988  -0.93820  -0.89691  -0.87442  -0.83735
 Alpha  occ. eigenvalues --   -0.83055  -0.78666  -0.76444  -0.73405  -0.70876
 Alpha  occ. eigenvalues --   -0.69746  -0.67841  -0.63035  -0.61300  -0.60974
 Alpha  occ. eigenvalues --   -0.58511  -0.57151  -0.56723  -0.56401  -0.55509
 Alpha  occ. eigenvalues --   -0.53920  -0.53490  -0.52268  -0.51082  -0.50852
 Alpha  occ. eigenvalues --   -0.49797  -0.49259  -0.48356  -0.47479  -0.46915
 Alpha  occ. eigenvalues --   -0.44947  -0.44680  -0.43351  -0.42950  -0.41554
 Alpha  occ. eigenvalues --   -0.41025  -0.39791  -0.37646  -0.35957  -0.31587
 Alpha  occ. eigenvalues --   -0.28165
 Alpha virt. eigenvalues --    0.01238   0.04336   0.07284   0.07924   0.08333
 Alpha virt. eigenvalues --    0.08521   0.09979   0.10413   0.11040   0.11650
 Alpha virt. eigenvalues --    0.12727   0.13577   0.13762   0.14506   0.15148
 Alpha virt. eigenvalues --    0.15321   0.16356   0.17044   0.17266   0.17692
 Alpha virt. eigenvalues --    0.18349   0.18819   0.19259   0.19639   0.19786
 Alpha virt. eigenvalues --    0.20193   0.20950   0.21469   0.21630   0.22703
 Alpha virt. eigenvalues --    0.22973   0.23687   0.24364   0.24538   0.25172
 Alpha virt. eigenvalues --    0.25663   0.25998   0.26424   0.27452   0.27555
 Alpha virt. eigenvalues --    0.28138   0.28656   0.28914   0.29470   0.30040
 Alpha virt. eigenvalues --    0.30500   0.30674   0.31139   0.31487   0.31811
 Alpha virt. eigenvalues --    0.32301   0.33098   0.33723   0.33937   0.34484
 Alpha virt. eigenvalues --    0.34710   0.35469   0.35993   0.36459   0.36883
 Alpha virt. eigenvalues --    0.37027   0.37187   0.37751   0.38484   0.38807
 Alpha virt. eigenvalues --    0.39118   0.39277   0.39677   0.40192   0.40810
 Alpha virt. eigenvalues --    0.40890   0.41442   0.41802   0.41890   0.42037
 Alpha virt. eigenvalues --    0.42400   0.42580   0.43068   0.43449   0.43627
 Alpha virt. eigenvalues --    0.44111   0.44449   0.44544   0.44876   0.45306
 Alpha virt. eigenvalues --    0.45827   0.45931   0.46329   0.46767   0.46941
 Alpha virt. eigenvalues --    0.47056   0.47613   0.47687   0.48281   0.48587
 Alpha virt. eigenvalues --    0.49265   0.49434   0.49687   0.49905   0.50334
 Alpha virt. eigenvalues --    0.50531   0.50767   0.51019   0.51636   0.51924
 Alpha virt. eigenvalues --    0.52164   0.53015   0.53396   0.54041   0.54565
 Alpha virt. eigenvalues --    0.55122   0.55320   0.55756   0.55859   0.56487
 Alpha virt. eigenvalues --    0.56884   0.57492   0.57893   0.58519   0.58719
 Alpha virt. eigenvalues --    0.59199   0.59725   0.60200   0.60307   0.61302
 Alpha virt. eigenvalues --    0.61555   0.61741   0.62211   0.62957   0.63470
 Alpha virt. eigenvalues --    0.63862   0.64274   0.64692   0.65173   0.65525
 Alpha virt. eigenvalues --    0.66178   0.66799   0.67049   0.67658   0.68136
 Alpha virt. eigenvalues --    0.68767   0.68944   0.69430   0.70128   0.70378
 Alpha virt. eigenvalues --    0.71061   0.71704   0.72366   0.73146   0.73986
 Alpha virt. eigenvalues --    0.74257   0.75893   0.76012   0.76591   0.76823
 Alpha virt. eigenvalues --    0.77397   0.77666   0.77817   0.78365   0.78672
 Alpha virt. eigenvalues --    0.79463   0.79809   0.80376   0.80620   0.81146
 Alpha virt. eigenvalues --    0.82642   0.83244   0.83732   0.84167   0.84739
 Alpha virt. eigenvalues --    0.84930   0.85582   0.85986   0.87633   0.87999
 Alpha virt. eigenvalues --    0.88727   0.89956   0.90156   0.90994   0.91355
 Alpha virt. eigenvalues --    0.92672   0.93131   0.94324   0.95572   0.96513
 Alpha virt. eigenvalues --    0.96904   0.97053   0.97667   0.99575   0.99931
 Alpha virt. eigenvalues --    1.01431   1.01831   1.02005   1.02431   1.03513
 Alpha virt. eigenvalues --    1.04834   1.05606   1.06107   1.07018   1.08087
 Alpha virt. eigenvalues --    1.08234   1.08669   1.09641   1.11105   1.11378
 Alpha virt. eigenvalues --    1.11660   1.12089   1.12907   1.13461   1.14877
 Alpha virt. eigenvalues --    1.15271   1.16442   1.16708   1.17587   1.18706
 Alpha virt. eigenvalues --    1.19553   1.20258   1.20864   1.20995   1.23334
 Alpha virt. eigenvalues --    1.23904   1.25188   1.25952   1.27267   1.27612
 Alpha virt. eigenvalues --    1.28108   1.28955   1.29996   1.31450   1.31715
 Alpha virt. eigenvalues --    1.32981   1.34164   1.35926   1.36842   1.37855
 Alpha virt. eigenvalues --    1.38621   1.39177   1.40416   1.41214   1.42373
 Alpha virt. eigenvalues --    1.43976   1.44235   1.45317   1.46653   1.47384
 Alpha virt. eigenvalues --    1.48115   1.49106   1.50999   1.52588   1.54178
 Alpha virt. eigenvalues --    1.55011   1.56260   1.57900   1.58143   1.59142
 Alpha virt. eigenvalues --    1.59305   1.60701   1.63407   1.64347   1.66223
 Alpha virt. eigenvalues --    1.66605   1.67658   1.68198   1.68754   1.70153
 Alpha virt. eigenvalues --    1.70932   1.72637   1.72894   1.73642   1.75109
 Alpha virt. eigenvalues --    1.75590   1.76282   1.77382   1.79482   1.81143
 Alpha virt. eigenvalues --    1.81792   1.82594   1.83328   1.84575   1.85832
 Alpha virt. eigenvalues --    1.86916   1.88700   1.89181   1.91113   1.91419
 Alpha virt. eigenvalues --    1.92450   1.93417   1.96491   1.97007   1.98049
 Alpha virt. eigenvalues --    1.98279   1.98803   1.99358   2.01028   2.01501
 Alpha virt. eigenvalues --    2.02845   2.03094   2.04262   2.04917   2.06504
 Alpha virt. eigenvalues --    2.07864   2.08032   2.09236   2.10411   2.11224
 Alpha virt. eigenvalues --    2.11998   2.13516   2.13902   2.14330   2.15297
 Alpha virt. eigenvalues --    2.15893   2.16893   2.18165   2.18635   2.19261
 Alpha virt. eigenvalues --    2.19767   2.22297   2.22923   2.24569   2.25097
 Alpha virt. eigenvalues --    2.27374   2.27967   2.29800   2.30040   2.31595
 Alpha virt. eigenvalues --    2.33529   2.33882   2.35753   2.37328   2.37632
 Alpha virt. eigenvalues --    2.38461   2.39051   2.39783   2.40712   2.42604
 Alpha virt. eigenvalues --    2.43412   2.45335   2.47564   2.47908   2.50638
 Alpha virt. eigenvalues --    2.52326   2.52636   2.53839   2.55313   2.56075
 Alpha virt. eigenvalues --    2.59215   2.59999   2.61435   2.63749   2.64938
 Alpha virt. eigenvalues --    2.65162   2.67119   2.67565   2.68691   2.69414
 Alpha virt. eigenvalues --    2.72398   2.75614   2.78015   2.78655   2.82501
 Alpha virt. eigenvalues --    2.87154   2.89341   2.90464   2.94195   2.95326
 Alpha virt. eigenvalues --    2.97480   3.00935   3.01451   3.02171   3.02827
 Alpha virt. eigenvalues --    3.03644   3.03866   3.06298   3.07415   3.09200
 Alpha virt. eigenvalues --    3.10028   3.10569   3.13079   3.13721   3.17745
 Alpha virt. eigenvalues --    3.18435   3.19073   3.21122   3.22204   3.24741
 Alpha virt. eigenvalues --    3.24821   3.28319   3.30332   3.30771   3.34836
 Alpha virt. eigenvalues --    3.37777   3.41110   3.48199   3.57809   3.66570
 Alpha virt. eigenvalues --    3.70934   3.74820   3.89383   3.92443   4.04954
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.868224  -0.920132  -0.586807   0.210954  -0.641656   0.510969
     2  C   -0.920132   7.216061  -0.092124  -0.517782   0.501246  -0.016540
     3  C   -0.586807  -0.092124   9.766472  -0.793753  -0.356327  -0.377892
     4  C    0.210954  -0.517782  -0.793753  10.698390  -0.478690  -0.627232
     5  C   -0.641656   0.501246  -0.356327  -0.478690  10.808416  -0.911129
     6  C    0.510969  -0.016540  -0.377892  -0.627232  -0.911129   8.310746
     7  C    0.181305   0.025664  -0.890440  -1.165628  -0.176696   0.208064
     8  C    0.004015   0.011995   0.038047   0.344176  -0.500545   0.064541
     9  C    0.013926  -0.028375   0.120435  -0.986555   0.037396   0.140512
    10  C    0.075713   0.056243   0.028603   0.143229  -1.494229  -0.432009
    11  C   -0.000495  -0.000519  -0.001679   0.111071   0.059817  -0.003206
    12  O   -0.078681   0.102816   0.025753   0.046816   0.021776  -0.007004
    13  C    0.100215  -0.012460  -0.001945  -0.002533   0.001131   0.024018
    14  H   -0.485454  -0.338236   0.061361   0.148954   0.009694  -0.323481
    15  H   -0.669287   0.107162  -0.363884  -0.094607   0.036953   0.047390
    16  H    0.056173  -0.405328   0.040244   0.035597  -0.119979  -0.445730
    17  H    0.034433  -0.007447  -0.286908  -0.502900  -0.044180   0.001332
    18  H   -0.002420   0.000067   0.019222  -0.049215   0.226159  -0.007013
    19  H   -0.000473   0.030591  -0.004305   0.113368  -0.524978  -0.122747
    20  H   -0.000019   0.000003   0.000018   0.012423   0.017734   0.000801
    21  C   -0.000041   0.000049  -0.000220  -0.004104  -0.008814   0.000487
    22  C    0.000065   0.000061  -0.000378   0.001966  -0.031448   0.000208
    23  H    0.021540   0.057473   0.007634   0.000083  -0.001451  -0.001774
    24  H   -0.006898   0.008560   0.000607  -0.002080   0.000621   0.001100
    25  H   -0.008303   0.008285   0.000545  -0.001921   0.000542   0.001334
    26  H   -0.000014   0.000004   0.000017   0.000391   0.001233   0.000175
    27  H    0.000033  -0.000003  -0.000068   0.000216   0.002682  -0.002081
    28  H    0.000001  -0.000001  -0.000005  -0.000316  -0.001750  -0.000047
    29  O    0.000011   0.000003   0.000089  -0.001329   0.001434  -0.000016
    30  O   -0.000080   0.000100  -0.000087   0.003916   0.027024   0.000281
    31  H   -0.000001   0.000003  -0.000001  -0.000294  -0.001761   0.000185
               7          8          9         10         11         12
     1  C    0.181305   0.004015   0.013926   0.075713  -0.000495  -0.078681
     2  C    0.025664   0.011995  -0.028375   0.056243  -0.000519   0.102816
     3  C   -0.890440   0.038047   0.120435   0.028603  -0.001679   0.025753
     4  C   -1.165628   0.344176  -0.986555   0.143229   0.111071   0.046816
     5  C   -0.176696  -0.500545   0.037396  -1.494229   0.059817   0.021776
     6  C    0.208064   0.064541   0.140512  -0.432009  -0.003206  -0.007004
     7  C    8.223119  -0.446865   0.689491  -0.225585   0.021480  -0.010268
     8  C   -0.446865   8.653589  -0.419890  -0.209368  -0.659801  -0.001021
     9  C    0.689491  -0.419890  10.866328  -1.182102  -0.013501  -0.001472
    10  C   -0.225585  -0.209368  -1.182102   9.385624  -0.452495  -0.003488
    11  C    0.021480  -0.659801  -0.013501  -0.452495   6.826272   0.000021
    12  O   -0.010268  -0.001021  -0.001472  -0.003488   0.000021   8.757856
    13  C    0.000521  -0.000008  -0.000057  -0.000499  -0.000001   0.123961
    14  H   -0.003950  -0.000376   0.000301   0.017412   0.000050  -0.215691
    15  H   -0.012861   0.031335  -0.014407   0.005818  -0.000243   0.063506
    16  H   -0.021297  -0.005979   0.018434  -0.156704   0.000539   0.013021
    17  H   -0.065098  -0.510639  -0.010288   0.105122   0.018109  -0.000612
    18  H   -0.561517   0.080599  -1.043815   0.072700  -0.333626   0.000085
    19  H    0.113863   0.014590  -1.090276   0.292686  -0.170538  -0.000279
    20  H    0.019164  -0.114876  -0.327749   0.142874   0.219376  -0.000000
    21  C    0.000856   0.027033  -0.030896  -0.058078   0.337111   0.000001
    22  C   -0.010823  -0.013716   0.043551  -0.013972   0.228588  -0.000001
    23  H    0.000036  -0.000001  -0.000001   0.000037   0.000000  -0.180463
    24  H   -0.000073   0.000003  -0.000001  -0.000057  -0.000000   0.079463
    25  H   -0.000073   0.000003  -0.000002  -0.000075  -0.000000   0.079001
    26  H   -0.001218   0.019156  -0.014031  -0.021107   0.132943   0.000000
    27  H    0.000589  -0.001763   0.004839  -0.013155   0.106713  -0.000000
    28  H   -0.000020  -0.013340   0.000897  -0.007002   0.162558   0.000000
    29  O    0.003392  -0.032127   0.019617  -0.027196  -0.043984  -0.000000
    30  O    0.004089  -0.012845   0.021614  -0.099998  -0.118153   0.000003
    31  H   -0.000184   0.001376  -0.014183   0.008923   0.030197   0.000000
              13         14         15         16         17         18
     1  C    0.100215  -0.485454  -0.669287   0.056173   0.034433  -0.002420
     2  C   -0.012460  -0.338236   0.107162  -0.405328  -0.007447   0.000067
     3  C   -0.001945   0.061361  -0.363884   0.040244  -0.286908   0.019222
     4  C   -0.002533   0.148954  -0.094607   0.035597  -0.502900  -0.049215
     5  C    0.001131   0.009694   0.036953  -0.119979  -0.044180   0.226159
     6  C    0.024018  -0.323481   0.047390  -0.445730   0.001332  -0.007013
     7  C    0.000521  -0.003950  -0.012861  -0.021297  -0.065098  -0.561517
     8  C   -0.000008  -0.000376   0.031335  -0.005979  -0.510639   0.080599
     9  C   -0.000057   0.000301  -0.014407   0.018434  -0.010288  -1.043815
    10  C   -0.000499   0.017412   0.005818  -0.156704   0.105122   0.072700
    11  C   -0.000001   0.000050  -0.000243   0.000539   0.018109  -0.333626
    12  O    0.123961  -0.215691   0.063506   0.013021  -0.000612   0.000085
    13  C    4.098361  -0.044965  -0.014236   0.002544   0.000046  -0.000003
    14  H   -0.044965   2.244521   0.014675  -0.115678  -0.000036   0.000009
    15  H   -0.014236   0.014675   1.752425  -0.006506  -0.033628  -0.001570
    16  H    0.002544  -0.115678  -0.006506   2.006257   0.001111   0.000108
    17  H    0.000046  -0.000036  -0.033628   0.001111   2.339219  -0.596657
    18  H   -0.000003   0.000009  -0.001570   0.000108  -0.596657   2.910189
    19  H   -0.000025   0.001068   0.001254  -0.183855  -0.010054   0.024877
    20  H   -0.000000  -0.000000  -0.000010   0.000071   0.001569  -0.022978
    21  C   -0.000000  -0.000006  -0.000016   0.000911  -0.000029  -0.018029
    22  C    0.000000  -0.000004  -0.000024  -0.000017   0.000777  -0.024359
    23  H    0.439888   0.060767  -0.000579  -0.000204   0.000001   0.000000
    24  H    0.239310  -0.025433   0.000717  -0.000546  -0.000004  -0.000000
    25  H    0.239717  -0.023999   0.000791  -0.000517  -0.000004  -0.000000
    26  H   -0.000000  -0.000000  -0.000000   0.000076  -0.000234   0.005966
    27  H    0.000000   0.000002  -0.000000  -0.001533   0.000043  -0.001001
    28  H    0.000000   0.000000   0.000000  -0.000036   0.000010  -0.002937
    29  O    0.000000  -0.000000   0.000013   0.000001   0.000038  -0.010539
    30  O    0.000000  -0.000012  -0.000010   0.000429   0.000135  -0.003405
    31  H   -0.000000   0.000000   0.000000  -0.000012   0.000000   0.000192
              19         20         21         22         23         24
     1  C   -0.000473  -0.000019  -0.000041   0.000065   0.021540  -0.006898
     2  C    0.030591   0.000003   0.000049   0.000061   0.057473   0.008560
     3  C   -0.004305   0.000018  -0.000220  -0.000378   0.007634   0.000607
     4  C    0.113368   0.012423  -0.004104   0.001966   0.000083  -0.002080
     5  C   -0.524978   0.017734  -0.008814  -0.031448  -0.001451   0.000621
     6  C   -0.122747   0.000801   0.000487   0.000208  -0.001774   0.001100
     7  C    0.113863   0.019164   0.000856  -0.010823   0.000036  -0.000073
     8  C    0.014590  -0.114876   0.027033  -0.013716  -0.000001   0.000003
     9  C   -1.090276  -0.327749  -0.030896   0.043551  -0.000001  -0.000001
    10  C    0.292686   0.142874  -0.058078  -0.013972   0.000037  -0.000057
    11  C   -0.170538   0.219376   0.337111   0.228588   0.000000  -0.000000
    12  O   -0.000279  -0.000000   0.000001  -0.000001  -0.180463   0.079463
    13  C   -0.000025  -0.000000  -0.000000   0.000000   0.439888   0.239310
    14  H    0.001068  -0.000000  -0.000006  -0.000004   0.060767  -0.025433
    15  H    0.001254  -0.000010  -0.000016  -0.000024  -0.000579   0.000717
    16  H   -0.183855   0.000071   0.000911  -0.000017  -0.000204  -0.000546
    17  H   -0.010054   0.001569  -0.000029   0.000777   0.000001  -0.000004
    18  H    0.024877  -0.022978  -0.018029  -0.024359   0.000000  -0.000000
    19  H    2.407960   0.023945  -0.003242  -0.027132   0.000000   0.000002
    20  H    0.023945   1.248925  -0.162963  -0.081918   0.000000  -0.000000
    21  C   -0.003242  -0.162963   4.216112   0.031138  -0.000000  -0.000000
    22  C   -0.027132  -0.081918   0.031138   4.798444   0.000000   0.000000
    23  H    0.000000   0.000000  -0.000000   0.000000   1.474400  -0.166818
    24  H    0.000002  -0.000000  -0.000000   0.000000  -0.166818   0.666466
    25  H    0.000000  -0.000000   0.000000  -0.000000  -0.166955   0.017130
    26  H   -0.015523   0.006425   0.205103   0.017959  -0.000000  -0.000000
    27  H    0.011774   0.003085   0.285377  -0.025553  -0.000000   0.000000
    28  H   -0.005922  -0.000928   0.219935  -0.007069   0.000000   0.000000
    29  O   -0.003725  -0.041745   0.002937   0.235662   0.000000   0.000000
    30  O   -0.000900  -0.005861   0.014514   0.071497  -0.000000  -0.000000
    31  H    0.000058   0.000869   0.003427   0.084290   0.000000  -0.000000
              25         26         27         28         29         30
     1  C   -0.008303  -0.000014   0.000033   0.000001   0.000011  -0.000080
     2  C    0.008285   0.000004  -0.000003  -0.000001   0.000003   0.000100
     3  C    0.000545   0.000017  -0.000068  -0.000005   0.000089  -0.000087
     4  C   -0.001921   0.000391   0.000216  -0.000316  -0.001329   0.003916
     5  C    0.000542   0.001233   0.002682  -0.001750   0.001434   0.027024
     6  C    0.001334   0.000175  -0.002081  -0.000047  -0.000016   0.000281
     7  C   -0.000073  -0.001218   0.000589  -0.000020   0.003392   0.004089
     8  C    0.000003   0.019156  -0.001763  -0.013340  -0.032127  -0.012845
     9  C   -0.000002  -0.014031   0.004839   0.000897   0.019617   0.021614
    10  C   -0.000075  -0.021107  -0.013155  -0.007002  -0.027196  -0.099998
    11  C   -0.000000   0.132943   0.106713   0.162558  -0.043984  -0.118153
    12  O    0.079001   0.000000  -0.000000   0.000000  -0.000000   0.000003
    13  C    0.239717  -0.000000   0.000000   0.000000   0.000000   0.000000
    14  H   -0.023999  -0.000000   0.000002   0.000000  -0.000000  -0.000012
    15  H    0.000791  -0.000000  -0.000000   0.000000   0.000013  -0.000010
    16  H   -0.000517   0.000076  -0.001533  -0.000036   0.000001   0.000429
    17  H   -0.000004  -0.000234   0.000043   0.000010   0.000038   0.000135
    18  H   -0.000000   0.005966  -0.001001  -0.002937  -0.010539  -0.003405
    19  H    0.000000  -0.015523   0.011774  -0.005922  -0.003725  -0.000900
    20  H   -0.000000   0.006425   0.003085  -0.000928  -0.041745  -0.005861
    21  C    0.000000   0.205103   0.285377   0.219935   0.002937   0.014514
    22  C   -0.000000   0.017959  -0.025553  -0.007069   0.235662   0.071497
    23  H   -0.166955  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    24  H    0.017130  -0.000000   0.000000   0.000000   0.000000  -0.000000
    25  H    0.666542  -0.000000   0.000000   0.000000   0.000000   0.000000
    26  H   -0.000000   0.648599   0.004489  -0.040575  -0.002999   0.005375
    27  H    0.000000   0.004489   0.648853  -0.014086   0.000228   0.030521
    28  H    0.000000  -0.040575  -0.014086   0.662016   0.002546  -0.015838
    29  O    0.000000  -0.002999   0.000228   0.002546   8.432187  -0.036403
    30  O    0.000000   0.005375   0.030521  -0.015838  -0.036403   8.316136
    31  H    0.000000  -0.000316  -0.000066   0.001782  -0.061197   0.174919
              31
     1  C   -0.000001
     2  C    0.000003
     3  C   -0.000001
     4  C   -0.000294
     5  C   -0.001761
     6  C    0.000185
     7  C   -0.000184
     8  C    0.001376
     9  C   -0.014183
    10  C    0.008923
    11  C    0.030197
    12  O    0.000000
    13  C   -0.000000
    14  H    0.000000
    15  H    0.000000
    16  H   -0.000012
    17  H    0.000000
    18  H    0.000192
    19  H    0.000058
    20  H    0.000869
    21  C    0.003427
    22  C    0.084290
    23  H    0.000000
    24  H   -0.000000
    25  H    0.000000
    26  H   -0.000316
    27  H   -0.000066
    28  H    0.001782
    29  O   -0.061197
    30  O    0.174919
    31  H    0.671939
 Mulliken charges:
               1
     1  C    0.323185
     2  C    0.212562
     3  C   -0.352222
     4  C   -0.642609
     5  C   -0.460226
     6  C   -0.034242
     7  C    0.100966
     8  C   -0.347296
     9  C   -0.799741
    10  C    0.062135
    11  C   -0.456603
    12  O   -0.815096
    13  C    0.807020
    14  H    0.018508
    15  H    0.149829
    16  H    0.288407
    17  H    0.566774
    18  H    0.338910
    19  H    0.127939
    20  H    0.061766
    21  C    0.941447
    22  C    0.722208
    23  H   -0.543614
    24  H    0.187932
    25  H    0.187961
    26  H    0.048106
    27  H   -0.040135
    28  H    0.060128
    29  O   -0.436897
    30  O   -0.376958
    31  H    0.099856
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.323185
     2  C    0.231071
     3  C   -0.202393
     4  C   -0.642609
     5  C   -0.460226
     6  C    0.254165
     7  C    0.667740
     8  C   -0.008385
     9  C   -0.799741
    10  C    0.190074
    11  C   -0.394837
    12  O   -0.815096
    13  C    0.639300
    21  C    1.009546
    22  C    0.722208
    29  O   -0.436897
    30  O   -0.277103
 Electronic spatial extent (au):  <R**2>=           5462.6646
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.9125    Y=             -2.4023    Z=              1.2755  Tot=              3.3250
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.6702   YY=            -91.1420   ZZ=           -103.6637
   XY=             -1.3103   XZ=             -6.9347   YZ=              4.0125
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.8218   YY=              4.3500   ZZ=             -8.1718
   XY=             -1.3103   XZ=             -6.9347   YZ=              4.0125
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            101.5605  YYY=             -3.2066  ZZZ=             -9.5323  XYY=             -3.1901
  XXY=            -65.7502  XXZ=             22.9225  XZZ=             -4.3254  YZZ=            -14.8912
  YYZ=             -9.4769  XYZ=            -20.3580
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5419.1704 YYYY=           -775.3986 ZZZZ=           -444.7031 XXXY=            -33.7228
 XXXZ=           -134.2895 YYYX=             30.9084 YYYZ=             11.6578 ZZZX=             16.8604
 ZZZY=             27.9910 XXYY=          -1054.3390 XXZZ=          -1085.4675 YYZZ=           -209.7670
 XXYZ=             95.5001 YYXZ=             32.1953 ZZXY=             49.2613
 N-N= 1.132687855108D+03 E-N=-4.048370119419D+03  KE= 7.586883042451D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Sep 23 14:16:58 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.85317116D-01-9.09046616D-01 4.60014775D-01
 Polarizability= 2.70359522D+02-1.56599650D+01 1.67802612D+02
                -7.41308291D+00-4.46928583D+00 1.13059248D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.0074    4.0078       -9.6658   -9.6709
 2     -4.0074   -4.0078        2.5688    2.5679      -55.4464  -55.4524
 3      9.6658    9.6709       85.2907   85.2886       -2.5665   -2.5679
 4     -2.5688   -2.5679       -0.0000    0.0000        9.6681    9.6709
 5    -29.8442  -29.8361       -9.6681   -9.6709        4.0068    4.0078
 6      2.5665    2.5679       -4.0068   -4.0078        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -12.0234  -12.0234      -29.0128  -29.0128
 2     -7.7037   -7.7037        0.0000    0.0000      -29.0128  -29.0128
 3     -7.7037   -7.7037      -12.0234  -12.0234        0.0000    0.0000
 4    -12.0235  -12.0234        7.7037    7.7037     -166.3573 -166.3573
 5     29.0128   29.0128      255.8657  255.8657       -7.7037   -7.7037
 6    -89.5083  -89.5083      -29.0128  -29.0128       12.0234   12.0234
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.7332    0.0000      -15.6835  -16.0313       40.1351   38.6837
 2     14.6620   16.0313      -10.1057  -10.2717      223.1781  221.8098
 3    -39.0834  -38.6837     -341.2150 -341.1542       12.0111   10.2717
 4      9.8650   10.2717        0.1016    0.0000      -38.4877  -38.6837
 5    119.0268  119.3444       38.8695   38.6837      -15.3440  -16.0313
 6    -10.1067  -10.2717       16.0054   16.0313        0.0624    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.7186    0.0000      105.2035  105.1835       61.0321   58.8203
 2   -105.1034 -105.1835      -68.4516  -68.2396       25.8438   26.4366
 3    -56.0029  -58.8203      -34.4957  -32.9170       66.2394   68.2396
 4     68.8675   68.2396       -0.2956    0.0000      -59.4739  -58.8203
 5      8.0854    6.4804       58.7025   58.8203      104.4265  105.1835
 6    -68.3181  -68.2396     -104.7567 -105.1835       -0.9491    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     59.9787   59.1093       36.9333   36.8989      -32.1012  -30.1118
 2    172.6220  171.1571      124.3994  124.8851      -32.1840  -30.1118
 3    172.5349  171.1571       36.4920   36.8989      -98.8295  -96.8133
 4    -88.3870  -87.9862     -112.4507 -112.0478       14.9499   13.8957
 5    -65.8585  -66.7015      -22.4013  -22.1913      110.9962  112.0478
 6      8.2468    8.2956       65.8861   66.7015       89.1065   87.9862
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6532   -2.7523    0.0003    0.0005    0.0006    1.6950
 Low frequencies ---   13.8199   39.0318   49.3098
 Diagonal vibrational polarizability:
       46.2960990      24.0401293      36.5759428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     13.7814                39.0304                49.3078
 Red. masses --      4.4733                 6.8440                 6.3200
 Frc consts  --      0.0005                 0.0061                 0.0091
 IR Inten    --      0.1492                 0.7172                 1.3348
 RamAct Fr= 1--      5.8147                 2.1111                 1.0393
  Dep-P Fr= 1--      0.7452                 0.7494                 0.7409
  Dep-U Fr= 1--      0.8540                 0.8568                 0.8512
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0002
 Beta2  Fr= 1--      0.8276                 0.3015                 0.1474
 AlphaG Fr= 1--      0.0044                 0.0004                -0.0039
 Gamma2 Fr= 1--     -0.9513                -2.2308                 2.2729
 Delta2 Fr= 1--     -0.8905                -0.8363                 0.4288
 Raman1 Fr= 1--      23.259                  8.444                  4.157
 ROA1   Fr= 1--    -119.819               -240.915                231.918
 CID1   Fr= 1--      -5.152                -28.529                 55.788
 Raman2 Fr= 1--       9.931                  3.617                  1.769
 ROA2   Fr= 1--     -15.706                -46.849                 51.119
 CID2   Fr= 1--      -1.581                -12.951                 28.893
 Raman3 Fr= 1--      19.863                  7.235                  3.539
 ROA3   Fr= 1--    -119.819               -240.915                231.918
 CID3   Fr= 1--      -6.032                -33.299                 65.541
 RC180  Fr= 1--       0.708                  0.714                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.01  -0.02   0.04
     2   6     0.03   0.01   0.14    -0.02   0.01   0.07    -0.02  -0.01   0.07
     3   6    -0.02  -0.02  -0.11    -0.03   0.01   0.01     0.01  -0.00   0.06
     4   6    -0.01  -0.03  -0.07    -0.03   0.01   0.08     0.01   0.02   0.09
     5   6     0.02  -0.02   0.09    -0.02   0.01   0.14    -0.00   0.03   0.10
     6   6     0.04   0.00   0.18    -0.01   0.02   0.15    -0.02   0.01   0.11
     7   6    -0.03  -0.05  -0.16    -0.03   0.01   0.07     0.02   0.02   0.07
     8   6    -0.03  -0.06  -0.11    -0.03   0.00   0.07     0.01   0.03   0.03
     9   6     0.00  -0.05   0.04    -0.02   0.01   0.10    -0.00   0.04   0.01
    10   6     0.02  -0.03   0.13    -0.02   0.01   0.15    -0.01   0.04   0.07
    11   6     0.01  -0.06   0.06    -0.03  -0.01   0.01    -0.01   0.04  -0.07
    12   8    -0.01   0.01  -0.07    -0.05  -0.00  -0.12    -0.01  -0.04  -0.03
    13   6     0.02   0.03   0.03    -0.06  -0.01  -0.28    -0.04  -0.07  -0.24
    14   1     0.05   0.03   0.21    -0.02   0.01   0.06    -0.03  -0.01   0.07
    15   1    -0.04  -0.02  -0.23    -0.04   0.00  -0.05     0.02  -0.01   0.03
    16   1     0.06   0.01   0.30    -0.01   0.02   0.20    -0.03   0.02   0.13
    17   1    -0.06  -0.05  -0.28    -0.04   0.00   0.03     0.03   0.02   0.07
    18   1    -0.04  -0.07  -0.18    -0.04  -0.00   0.04     0.02   0.04  -0.00
    19   1     0.05  -0.02   0.24    -0.01   0.01   0.18    -0.01   0.04   0.07
    20   1     0.01  -0.06   0.18    -0.05  -0.02  -0.03    -0.03   0.04  -0.13
    21   6     0.01  -0.19  -0.02    -0.12  -0.02  -0.03    -0.09   0.09  -0.06
    22   6    -0.01   0.09   0.00     0.12  -0.01  -0.07     0.02  -0.03  -0.05
    23   1     0.00   0.04  -0.04    -0.07  -0.02  -0.41    -0.05  -0.10  -0.35
    24   1     0.01  -0.06   0.11    -0.19   0.01  -0.27    -0.19  -0.00  -0.27
    25   1     0.04   0.14   0.08     0.07  -0.04  -0.29     0.08  -0.15  -0.28
    26   1     0.04  -0.30   0.03    -0.20  -0.01   0.00    -0.13   0.11  -0.05
    27   1    -0.03  -0.20  -0.15    -0.09  -0.01   0.01    -0.08   0.08  -0.00
    28   1     0.01  -0.16  -0.01    -0.12  -0.05  -0.12    -0.09   0.09  -0.12
    29   8    -0.05   0.18   0.09     0.40   0.03  -0.22    -0.26  -0.13   0.05
    30   8     0.01   0.10  -0.16    -0.06  -0.04   0.04     0.37   0.02  -0.14
    31   1     0.00   0.19  -0.18     0.09  -0.03  -0.02     0.33  -0.03  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5962               115.8049               139.2808
 Red. masses --      3.9686                 5.1213                 3.8393
 Frc consts  --      0.0130                 0.0405                 0.0439
 IR Inten    --      2.0603                 0.7265                 0.6041
 RamAct Fr= 1--      1.5286                 0.8713                 1.5540
  Dep-P Fr= 1--      0.7191                 0.5111                 0.6496
  Dep-U Fr= 1--      0.8366                 0.6764                 0.7876
 Alpha2 Fr= 1--      0.0008                 0.0041                 0.0028
 Beta2  Fr= 1--      0.2131                 0.0982                 0.2040
 AlphaG Fr= 1--      0.0092                -0.0289                 0.0118
 Gamma2 Fr= 1--     -0.7497                -1.3839                 2.3493
 Delta2 Fr= 1--      0.0302                -0.7421                 1.5877
 Raman1 Fr= 1--       6.114                  3.485                  6.216
 ROA1   Fr= 1--     -71.004               -156.596                276.344
 CID1   Fr= 1--     -11.612                -44.929                 44.456
 Raman2 Fr= 1--       2.558                  1.179                  2.448
 ROA2   Fr= 1--     -18.234                -27.276                 43.683
 CID2   Fr= 1--      -7.129                -23.138                 17.846
 Raman3 Fr= 1--       5.115                  2.358                  4.895
 ROA3   Fr= 1--     -71.004               -156.596                276.344
 CID3   Fr= 1--     -13.880                -66.420                 56.449
 RC180  Fr= 1--       0.673                  0.353                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.13    -0.05  -0.00   0.04    -0.01   0.01   0.01
     2   6    -0.04  -0.02  -0.11    -0.08  -0.00  -0.04    -0.04   0.04   0.08
     3   6    -0.03  -0.01  -0.09    -0.04   0.01  -0.06     0.03   0.06   0.04
     4   6    -0.02   0.01  -0.01    -0.05   0.03  -0.12     0.02   0.10   0.05
     5   6    -0.03   0.01   0.01    -0.06   0.04  -0.09     0.00   0.10   0.01
     6   6    -0.04  -0.00  -0.04    -0.09   0.02  -0.11    -0.04   0.08   0.07
     7   6    -0.01   0.02   0.06    -0.05   0.03  -0.16     0.01   0.10   0.07
     8   6    -0.01   0.03   0.11    -0.05   0.05  -0.07    -0.00   0.09   0.01
     9   6    -0.01   0.03   0.09    -0.03   0.06   0.04    -0.00   0.08  -0.07
    10   6    -0.02   0.02   0.06    -0.04   0.06  -0.01     0.01   0.09  -0.07
    11   6    -0.02   0.01   0.03    -0.01  -0.02   0.11     0.02  -0.04  -0.03
    12   8    -0.04  -0.04  -0.20    -0.02  -0.03   0.25    -0.00  -0.09  -0.12
    13   6    -0.01  -0.00   0.25    -0.10  -0.10  -0.03    -0.08  -0.16   0.03
    14   1    -0.05  -0.02  -0.15    -0.10  -0.01  -0.02    -0.06   0.02   0.11
    15   1    -0.02  -0.01  -0.10    -0.01   0.00  -0.03     0.07   0.04   0.02
    16   1    -0.05   0.00  -0.04    -0.12   0.03  -0.13    -0.08   0.10   0.10
    17   1    -0.01   0.02   0.06    -0.06   0.03  -0.22     0.01   0.11   0.12
    18   1    -0.00   0.03   0.14    -0.05   0.05  -0.08    -0.00   0.09   0.03
    19   1    -0.02   0.02   0.05    -0.03   0.06   0.03     0.02   0.09  -0.11
    20   1    -0.04   0.00   0.01    -0.07  -0.05   0.16    -0.07  -0.09   0.06
    21   6    -0.07   0.00   0.01     0.09  -0.12   0.07     0.21  -0.17  -0.05
    22   6     0.08  -0.00  -0.00     0.10  -0.00   0.06    -0.02  -0.05  -0.02
    23   1     0.00  -0.00   0.33    -0.07  -0.13   0.08    -0.05  -0.26  -0.09
    24   1     0.19  -0.22   0.40    -0.17   0.13  -0.22    -0.17  -0.29   0.16
    25   1    -0.19   0.24   0.39    -0.12  -0.35  -0.18    -0.09   0.01   0.13
    26   1    -0.13   0.01   0.03     0.09  -0.15   0.09     0.25  -0.20  -0.05
    27   1    -0.04   0.01   0.03     0.16  -0.09   0.00     0.31  -0.12  -0.16
    28   1    -0.07  -0.02  -0.05     0.10  -0.20   0.11     0.23  -0.30   0.05
    29   8     0.07  -0.03  -0.01     0.16   0.00   0.03    -0.03  -0.05  -0.01
    30   8     0.19   0.01  -0.02     0.21   0.01   0.02    -0.07  -0.06  -0.00
    31   1     0.25   0.00  -0.05     0.32   0.03  -0.04    -0.10  -0.05   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.3410               195.6067               231.0924
 Red. masses --      3.1684                 3.3765                 1.7281
 Frc consts  --      0.0621                 0.0761                 0.0544
 IR Inten    --      0.8368                 0.5546                 0.9944
 RamAct Fr= 1--      0.1221                 2.0947                 0.3828
  Dep-P Fr= 1--      0.3665                 0.6004                 0.3075
  Dep-U Fr= 1--      0.5364                 0.7503                 0.4703
 Alpha2 Fr= 1--      0.0010                 0.0058                 0.0038
 Beta2  Fr= 1--      0.0109                 0.2619                 0.0300
 AlphaG Fr= 1--      0.0089                -0.0167                -0.0008
 Gamma2 Fr= 1--     -0.6450                -2.0223                 0.2188
 Delta2 Fr= 1--      0.1159                -1.3670                 0.0551
 Raman1 Fr= 1--       0.488                  8.379                  1.531
 ROA1   Fr= 1--     -58.210               -237.886                 22.765
 CID1   Fr= 1--    -119.199                -28.392                 14.868
 Raman2 Fr= 1--       0.131                  3.143                  0.360
 ROA2   Fr= 1--     -16.408                -37.599                  4.810
 CID2   Fr= 1--    -125.268                -11.961                 13.357
 Raman3 Fr= 1--       0.262                  6.287                  0.720
 ROA3   Fr= 1--     -58.210               -237.886                 22.765
 CID3   Fr= 1--    -222.209                -37.840                 31.611
 RC180  Fr= 1--       0.073                  0.501                 -0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.05  -0.03   0.05     0.02   0.07   0.01
     2   6     0.01   0.00   0.21    -0.04  -0.05  -0.00     0.03   0.06  -0.00
     3   6    -0.04  -0.04  -0.14    -0.04  -0.04   0.19     0.01   0.06   0.01
     4   6    -0.03  -0.04  -0.11    -0.04  -0.05   0.11     0.00   0.03  -0.00
     5   6    -0.03  -0.04  -0.14    -0.04  -0.06   0.02     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.05    -0.04  -0.06  -0.00     0.04   0.04  -0.03
     7   6     0.00  -0.01   0.06    -0.01  -0.03  -0.01    -0.03  -0.00  -0.00
     8   6     0.01   0.01   0.17    -0.02  -0.02  -0.14    -0.03  -0.05  -0.00
     9   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.10    -0.00  -0.06   0.00
    10   6    -0.04  -0.04  -0.20    -0.05  -0.03  -0.05     0.03  -0.04  -0.02
    11   6    -0.00   0.01   0.01     0.01   0.02   0.01    -0.00  -0.03   0.02
    12   8    -0.03   0.02   0.01    -0.09   0.02  -0.10     0.04  -0.00  -0.01
    13   6     0.01   0.05  -0.02     0.00   0.11  -0.01    -0.07  -0.11   0.02
    14   1     0.04   0.03   0.44    -0.03  -0.05  -0.07     0.03   0.07   0.01
    15   1    -0.05  -0.04  -0.20    -0.04  -0.03   0.24    -0.01   0.07   0.02
    16   1     0.01  -0.01   0.14    -0.04  -0.07  -0.05     0.06   0.03  -0.04
    17   1     0.02  -0.01   0.17     0.02  -0.05  -0.02    -0.08   0.01   0.00
    18   1     0.04   0.03   0.38    -0.03  -0.03  -0.24    -0.05  -0.07   0.00
    19   1    -0.06  -0.04  -0.30    -0.08  -0.02  -0.05     0.06  -0.05  -0.02
    20   1     0.01   0.02   0.00     0.01   0.02   0.02     0.04  -0.01  -0.02
    21   6     0.03   0.04   0.03     0.18   0.07   0.09    -0.06   0.05   0.05
    22   6     0.01   0.01   0.01     0.02   0.02   0.01     0.00  -0.02   0.01
    23   1    -0.04   0.06  -0.31    -0.05   0.17  -0.17    -0.04  -0.23  -0.12
    24   1    -0.15  -0.09   0.14     0.01  -0.04   0.12    -0.23  -0.17   0.11
    25   1     0.23   0.20   0.07     0.13   0.27   0.08    -0.05  -0.00   0.08
    26   1     0.06   0.06   0.01     0.48   0.02  -0.01     0.33  -0.14  -0.00
    27   1     0.03   0.04   0.04     0.03   0.01  -0.01    -0.48  -0.12  -0.08
    28   1     0.03   0.04   0.07     0.19   0.22   0.36    -0.08   0.50   0.27
    29   8     0.03   0.02  -0.00     0.07   0.04  -0.01     0.03   0.01   0.02
    30   8     0.05   0.02  -0.01     0.08   0.03  -0.02     0.00  -0.02  -0.04
    31   1     0.08   0.02  -0.02     0.16   0.04  -0.06     0.02   0.02  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5516               248.2345               271.7265
 Red. masses --      1.3354                 1.7323                 2.5185
 Frc consts  --      0.0425                 0.0629                 0.1096
 IR Inten    --      0.2266                 0.2440                 0.8921
 RamAct Fr= 1--      1.2207                 0.7168                 0.7454
  Dep-P Fr= 1--      0.6074                 0.3337                 0.7498
  Dep-U Fr= 1--      0.7558                 0.5004                 0.8570
 Alpha2 Fr= 1--      0.0032                 0.0066                 0.0000
 Beta2  Fr= 1--      0.1538                 0.0598                 0.1065
 AlphaG Fr= 1--      0.0049                -0.0067                -0.0006
 Gamma2 Fr= 1--      0.6540                 0.0172                 0.7621
 Delta2 Fr= 1--      0.0563                 0.3608                 0.0214
 Raman1 Fr= 1--       4.883                  2.867                  2.982
 ROA1   Fr= 1--      64.584                 13.202                 73.844
 CID1   Fr= 1--      13.227                  4.604                 24.767
 Raman2 Fr= 1--       1.845                  0.717                  1.278
 ROA2   Fr= 1--      15.245                 -2.473                 18.119
 CID2   Fr= 1--       8.262                 -3.446                 14.181
 Raman3 Fr= 1--       3.690                  1.435                  2.555
 ROA3   Fr= 1--      64.584                 13.202                 73.844
 CID3   Fr= 1--      17.501                  9.200                 28.899
 RC180  Fr= 1--       0.512                  0.001                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04    -0.01   0.04  -0.01     0.02   0.02   0.05
     2   6    -0.01  -0.02   0.00     0.01   0.03   0.02     0.03   0.03   0.09
     3   6    -0.02  -0.02  -0.08    -0.01   0.03  -0.00     0.02   0.02   0.11
     4   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.02
     5   6    -0.01  -0.00   0.04     0.01  -0.01   0.01    -0.00  -0.01  -0.07
     6   6    -0.01  -0.01   0.05     0.02   0.01   0.03     0.02   0.01   0.02
     7   6     0.01   0.01   0.04    -0.03  -0.01   0.02    -0.01  -0.01  -0.03
     8   6     0.01   0.02   0.05    -0.02  -0.04   0.00    -0.01  -0.02  -0.05
     9   6     0.00   0.02  -0.01     0.00  -0.05  -0.02    -0.01  -0.02  -0.04
    10   6    -0.01   0.01   0.03     0.01  -0.04  -0.03    -0.01  -0.03  -0.14
    11   6     0.00   0.01  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.04
    12   8    -0.02   0.00   0.02    -0.00   0.01  -0.03     0.01  -0.01  -0.12
    13   6     0.01   0.03  -0.00    -0.07  -0.05   0.01    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.00     0.02   0.04   0.01     0.03   0.03   0.11
    15   1    -0.01  -0.03  -0.11    -0.03   0.04  -0.01     0.01   0.03   0.13
    16   1    -0.01   0.00   0.09     0.04   0.01   0.05     0.03   0.00   0.03
    17   1     0.03   0.00   0.06    -0.05  -0.00   0.03    -0.02  -0.01  -0.03
    18   1     0.02   0.03   0.08    -0.04  -0.06   0.01    -0.01  -0.02  -0.05
    19   1    -0.02   0.02   0.03     0.03  -0.05  -0.05    -0.01  -0.04  -0.20
    20   1    -0.00   0.00  -0.02     0.02  -0.03  -0.06     0.02   0.04   0.09
    21   6     0.07   0.01  -0.00     0.06   0.10   0.09    -0.11  -0.07  -0.05
    22   6    -0.01  -0.01  -0.02     0.00  -0.03  -0.01     0.00   0.05   0.05
    23   1     0.04   0.10   0.41    -0.00  -0.09   0.33     0.05  -0.00   0.47
    24   1     0.26   0.25  -0.26     0.08   0.11  -0.16     0.28   0.17  -0.25
    25   1    -0.24  -0.24  -0.16    -0.32  -0.22  -0.09    -0.37  -0.25  -0.14
    26   1     0.41  -0.16  -0.06    -0.21   0.41   0.03    -0.15  -0.19   0.03
    27   1    -0.20  -0.10  -0.18     0.36   0.22   0.37    -0.15  -0.09  -0.14
    28   1     0.06   0.29   0.24     0.07  -0.20  -0.03    -0.12  -0.03  -0.14
    29   8    -0.01  -0.02  -0.03     0.03   0.04   0.03     0.01   0.00   0.01
    30   8    -0.01  -0.01  -0.02    -0.01  -0.02  -0.10     0.06   0.05   0.13
    31   1    -0.01  -0.01  -0.02    -0.02   0.05  -0.12     0.12  -0.02   0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    304.4287               350.6857               394.0340
 Red. masses --      4.1539                 4.9942                 5.2777
 Frc consts  --      0.2268                 0.3619                 0.4828
 IR Inten    --      0.3516                 1.1133                 0.5238
 RamAct Fr= 1--      6.7679                 9.0347                 0.5227
  Dep-P Fr= 1--      0.1095                 0.2212                 0.5328
  Dep-U Fr= 1--      0.1975                 0.3623                 0.6952
 Alpha2 Fr= 1--      0.1158                 0.1159                 0.0022
 Beta2  Fr= 1--      0.2227                 0.5455                 0.0606
 AlphaG Fr= 1--      0.0895                -0.0200                 0.0220
 Gamma2 Fr= 1--     -0.0263                 0.0782                -0.3731
 Delta2 Fr= 1--     -0.4267                 0.4826                -0.8681
 Raman1 Fr= 1--      27.071                 36.139                  2.091
 ROA1   Fr= 1--     -16.176                 22.947                -63.594
 CID1   Fr= 1--      -0.598                  0.635                -30.413
 Raman2 Fr= 1--       2.673                  6.546                  0.727
 ROA2   Fr= 1--       2.784                 -1.985                 -2.009
 CID2   Fr= 1--       1.042                 -0.303                 -2.763
 Raman3 Fr= 1--       5.346                 13.093                  1.454
 ROA3   Fr= 1--     -16.176                 22.947                -63.594
 CID3   Fr= 1--      -3.026                  1.753                -43.745
 RC180  Fr= 1--      -0.605                 -0.275                  0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.09   0.05     0.10   0.03  -0.06     0.07   0.07   0.15
     2   6    -0.04  -0.05   0.06     0.03   0.06  -0.05     0.05   0.06   0.08
     3   6     0.08  -0.03   0.07     0.03   0.01  -0.07     0.01   0.01   0.16
     4   6     0.03   0.08  -0.02    -0.01   0.01   0.03    -0.02  -0.10  -0.11
     5   6    -0.02   0.10  -0.06    -0.04   0.02   0.05    -0.04  -0.08  -0.08
     6   6    -0.07   0.05  -0.01     0.03   0.06   0.03     0.03  -0.04  -0.12
     7   6    -0.02   0.07  -0.05    -0.10  -0.05   0.08     0.02  -0.08  -0.20
     8   6    -0.03   0.06  -0.01    -0.12  -0.08  -0.01     0.04   0.06   0.17
     9   6    -0.05   0.06   0.03    -0.15  -0.07  -0.05    -0.02   0.09   0.23
    10   6    -0.02   0.09  -0.06    -0.08  -0.03   0.01    -0.06   0.04   0.13
    11   6    -0.06  -0.09   0.06    -0.19   0.03   0.03    -0.06   0.05   0.02
    12   8     0.04  -0.11  -0.05     0.17  -0.07   0.03     0.05   0.04  -0.11
    13   6     0.23   0.05  -0.03     0.21  -0.08  -0.01    -0.02  -0.03  -0.01
    14   1    -0.08  -0.10   0.09     0.00   0.04  -0.06     0.06   0.06   0.07
    15   1     0.16  -0.06   0.08    -0.02   0.04  -0.08    -0.08   0.05   0.20
    16   1    -0.15   0.08  -0.02     0.08   0.05   0.04     0.11  -0.08  -0.21
    17   1    -0.05   0.08  -0.08    -0.17  -0.01   0.13     0.08  -0.13  -0.38
    18   1    -0.02   0.08  -0.02    -0.10  -0.07  -0.02     0.11   0.12   0.24
    19   1     0.00   0.08  -0.08    -0.01  -0.05   0.02    -0.13   0.06   0.11
    20   1    -0.13  -0.11  -0.01    -0.14   0.04   0.13    -0.13   0.02   0.02
    21   6    -0.12   0.01   0.12     0.07  -0.02   0.10     0.08   0.00   0.05
    22   6    -0.00  -0.10   0.03    -0.14   0.08  -0.02    -0.04   0.01  -0.07
    23   1     0.15   0.25   0.08     0.18  -0.03  -0.08     0.04  -0.12   0.11
    24   1     0.43   0.07  -0.10     0.19  -0.09   0.01     0.00  -0.01  -0.04
    25   1     0.25  -0.02  -0.07     0.29  -0.06   0.00    -0.18  -0.04  -0.02
    26   1    -0.07   0.03   0.09     0.13   0.08   0.02     0.20   0.01  -0.01
    27   1    -0.23  -0.04   0.20     0.26   0.06   0.06     0.15   0.04  -0.03
    28   1    -0.13   0.15   0.12     0.10  -0.22   0.29     0.10  -0.08   0.22
    29   8     0.05   0.01   0.08    -0.03  -0.01  -0.17    -0.06  -0.08  -0.13
    30   8    -0.05  -0.10  -0.16     0.06   0.11   0.07    -0.04   0.01  -0.07
    31   1    -0.04   0.06  -0.22     0.35   0.00  -0.02    -0.07   0.04  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.0250               422.8950               468.1367
 Red. masses --      3.3019                 4.3421                 4.8720
 Frc consts  --      0.3383                 0.4575                 0.6291
 IR Inten    --      0.0888                 0.8879                 3.3294
 RamAct Fr= 1--      2.9074                 0.5639                 1.3920
  Dep-P Fr= 1--      0.7421                 0.2489                 0.1746
  Dep-U Fr= 1--      0.8520                 0.3986                 0.2973
 Alpha2 Fr= 1--      0.0004                 0.0067                 0.0202
 Beta2  Fr= 1--      0.4128                 0.0375                 0.0690
 AlphaG Fr= 1--      0.0026                -0.0087                 0.0112
 Gamma2 Fr= 1--     -0.4098                -0.4966                 0.3052
 Delta2 Fr= 1--      0.1155                 0.1689                 0.0193
 Raman1 Fr= 1--      11.629                  2.255                  5.568
 ROA1   Fr= 1--     -35.640                -42.266                 29.912
 CID1   Fr= 1--      -3.065                -18.740                  5.372
 Raman2 Fr= 1--       4.954                  0.450                  0.828
 ROA2   Fr= 1--     -10.758                -13.270                  7.170
 CID2   Fr= 1--      -2.172                -29.518                  8.663
 Raman3 Fr= 1--       9.908                  0.899                  1.655
 ROA3   Fr= 1--     -35.640                -42.266                 29.912
 CID3   Fr= 1--      -3.597                -47.011                 18.071
 RC180  Fr= 1--       0.704                 -0.203                 -0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.08   0.06  -0.07     0.02   0.11   0.01
     2   6    -0.01  -0.01  -0.20     0.06   0.06  -0.02    -0.05   0.14  -0.00
     3   6     0.01   0.01   0.10    -0.02  -0.04  -0.07    -0.10   0.05   0.02
     4   6    -0.00  -0.02  -0.03     0.01  -0.15   0.08    -0.13  -0.07   0.00
     5   6     0.00  -0.00   0.09    -0.06  -0.12   0.04    -0.12  -0.07   0.03
     6   6     0.03   0.02   0.24     0.06  -0.06   0.02    -0.03   0.01  -0.01
     7   6    -0.01  -0.02  -0.17     0.12  -0.07   0.10    -0.10  -0.04  -0.02
     8   6     0.02   0.03   0.13     0.05   0.14  -0.13    -0.08   0.02   0.04
     9   6    -0.00   0.02   0.01    -0.07   0.17  -0.09    -0.01   0.02   0.01
    10   6    -0.03  -0.01  -0.17    -0.13   0.09  -0.05    -0.11  -0.06   0.04
    11   6    -0.01   0.00   0.01    -0.09   0.01   0.06     0.09   0.05  -0.11
    12   8     0.01   0.01   0.05     0.10   0.11   0.01     0.10  -0.08  -0.01
    13   6    -0.00  -0.00   0.01    -0.05  -0.03   0.01     0.18  -0.09  -0.01
    14   1    -0.03  -0.03  -0.32     0.07   0.07   0.01    -0.02   0.16  -0.03
    15   1     0.02   0.03   0.31    -0.17   0.01  -0.09    -0.26   0.11   0.02
    16   1     0.06   0.04   0.45     0.20  -0.11   0.03     0.09  -0.04  -0.05
    17   1    -0.01  -0.05  -0.34     0.30  -0.12   0.16    -0.05  -0.06  -0.04
    18   1     0.04   0.05   0.26     0.18   0.24  -0.23    -0.10  -0.00   0.06
    19   1    -0.07  -0.02  -0.40    -0.28   0.15  -0.02    -0.19  -0.03   0.02
    20   1    -0.02  -0.00   0.00    -0.21  -0.04   0.04     0.04   0.03  -0.23
    21   6    -0.01  -0.00   0.01    -0.08  -0.05   0.05     0.07   0.07  -0.20
    22   6     0.00  -0.00   0.00    -0.02  -0.06   0.06     0.14  -0.04   0.02
    23   1    -0.01  -0.03  -0.09     0.03  -0.21  -0.00     0.14   0.01  -0.01
    24   1    -0.08  -0.02   0.05    -0.18  -0.01   0.03     0.24  -0.09  -0.02
    25   1     0.05   0.03   0.03    -0.14  -0.01   0.02     0.23  -0.09  -0.01
    26   1    -0.00  -0.01   0.01    -0.10  -0.10   0.09     0.07   0.01  -0.16
    27   1    -0.01  -0.01  -0.00    -0.10  -0.06   0.01     0.05   0.07  -0.26
    28   1    -0.01   0.01   0.01    -0.08  -0.04   0.01     0.07   0.08  -0.23
    29   8     0.00  -0.00   0.00     0.05  -0.00   0.06     0.05   0.07   0.18
    30   8    -0.00  -0.01  -0.01    -0.01  -0.06  -0.06     0.01  -0.08   0.02
    31   1     0.00   0.01  -0.01     0.10   0.07  -0.15    -0.30  -0.10   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --    483.1789               535.1604               557.3698
 Red. masses --      2.5469                 6.3494                 3.3755
 Frc consts  --      0.3503                 1.0714                 0.6178
 IR Inten    --     14.5977                 2.4527                 6.3802
 RamAct Fr= 1--      0.1439                16.2312                 4.4639
  Dep-P Fr= 1--      0.3492                 0.3973                 0.1868
  Dep-U Fr= 1--      0.5177                 0.5687                 0.3148
 Alpha2 Fr= 1--      0.0013                 0.1214                 0.0628
 Beta2  Fr= 1--      0.0124                 1.5384                 0.2342
 AlphaG Fr= 1--      0.0050                 0.0726                -0.0731
 Gamma2 Fr= 1--     -0.3589                 0.0125                 0.0764
 Delta2 Fr= 1--      0.0081                 0.2125                 0.0133
 Raman1 Fr= 1--       0.575                 64.925                 17.856
 ROA1   Fr= 1--     -34.196                  8.003                  7.757
 CID1   Fr= 1--     -59.422                  0.123                  0.434
 Raman2 Fr= 1--       0.149                 18.460                  2.810
 ROA2   Fr= 1--      -8.679                 -1.400                  1.726
 CID2   Fr= 1--     -58.262                 -0.076                  0.614
 Raman3 Fr= 1--       0.298                 36.921                  5.621
 ROA3   Fr= 1--     -34.196                  8.003                  7.757
 CID3   Fr= 1--    -114.785                  0.217                  1.380
 RC180  Fr= 1--       0.035                  0.137                 -0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.07    -0.06   0.12  -0.04     0.08  -0.04   0.11
     2   6     0.00   0.00   0.05    -0.27   0.21   0.01    -0.04  -0.04  -0.01
     3   6    -0.01  -0.01  -0.12     0.07   0.17  -0.03     0.09  -0.06   0.01
     4   6     0.02   0.02   0.19     0.13  -0.05   0.02     0.07   0.00  -0.10
     5   6     0.02   0.02   0.20    -0.12   0.02  -0.01    -0.03   0.07   0.05
     6   6    -0.01  -0.01  -0.10    -0.23   0.06   0.02    -0.07   0.07  -0.01
     7   6    -0.01  -0.01  -0.10     0.25  -0.10   0.00     0.04  -0.04  -0.04
     8   6     0.01   0.00   0.05     0.27  -0.16  -0.04     0.05  -0.08   0.07
     9   6     0.00   0.00   0.04     0.04  -0.07   0.03    -0.08  -0.05  -0.11
    10   6    -0.01  -0.01  -0.11    -0.07  -0.11  -0.00    -0.04  -0.00   0.06
    11   6    -0.00   0.00   0.00     0.02   0.01   0.05    -0.10   0.01  -0.08
    12   8    -0.00  -0.00  -0.01    -0.04  -0.06   0.02     0.04   0.10  -0.04
    13   6    -0.00   0.00  -0.00     0.05   0.02  -0.01    -0.06   0.04  -0.00
    14   1    -0.01  -0.01  -0.12    -0.25   0.22   0.05    -0.16  -0.15  -0.18
    15   1    -0.04  -0.05  -0.49    -0.06   0.22   0.00     0.14  -0.09  -0.08
    16   1    -0.05  -0.04  -0.46    -0.16   0.05   0.06    -0.14   0.08  -0.15
    17   1    -0.04  -0.04  -0.42     0.24  -0.10  -0.01    -0.03   0.00   0.09
    18   1    -0.00  -0.01  -0.05     0.33  -0.11  -0.10     0.11  -0.03   0.29
    19   1    -0.04  -0.04  -0.45     0.00  -0.14  -0.02     0.06  -0.03   0.15
    20   1     0.00   0.00   0.00     0.06   0.03   0.08    -0.10   0.02  -0.15
    21   6    -0.00  -0.00   0.00    -0.01  -0.03   0.05     0.02   0.03  -0.10
    22   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.07  -0.06   0.04
    23   1    -0.00   0.00   0.00    -0.01   0.15  -0.01     0.01  -0.11   0.01
    24   1     0.00  -0.00   0.00     0.13   0.01  -0.02    -0.15   0.04   0.02
    25   1    -0.01   0.01   0.00     0.14   0.01  -0.01    -0.17   0.06   0.01
    26   1     0.01  -0.01   0.00    -0.05  -0.06   0.08     0.06   0.03  -0.11
    27   1     0.00   0.00  -0.00    -0.01  -0.03   0.04     0.09   0.06  -0.16
    28   1    -0.00   0.00   0.02    -0.02  -0.04   0.01     0.03  -0.05  -0.01
    29   8    -0.00  -0.00  -0.00    -0.01  -0.06  -0.04     0.04   0.10   0.09
    30   8    -0.00   0.00  -0.00    -0.02   0.01  -0.04     0.01  -0.07   0.05
    31   1    -0.02   0.00   0.01    -0.03   0.10  -0.06     0.56  -0.09  -0.17
                     22                     23                     24
                      A                      A                      A
 Frequencies --    577.8960               596.4236               617.4476
 Red. masses --      2.8086                 1.8152                 3.4111
 Frc consts  --      0.5526                 0.3804                 0.7662
 IR Inten    --     42.0122                60.6067                24.2823
 RamAct Fr= 1--      3.5394                 2.6550                 1.3767
  Dep-P Fr= 1--      0.3691                 0.7212                 0.6538
  Dep-U Fr= 1--      0.5392                 0.8380                 0.7907
 Alpha2 Fr= 1--      0.0292                 0.0013                 0.0024
 Beta2  Fr= 1--      0.3181                 0.3708                 0.1814
 AlphaG Fr= 1--      0.0836                -0.0060                -0.0254
 Gamma2 Fr= 1--      0.6115                -0.2987                 0.6434
 Delta2 Fr= 1--     -0.2519                -0.7319                 0.6718
 Raman1 Fr= 1--      14.158                 10.620                  5.507
 ROA1   Fr= 1--      50.641                -52.092                 83.263
 CID1   Fr= 1--       3.577                 -4.905                 15.120
 Raman2 Fr= 1--       3.817                  4.450                  2.177
 ROA2   Fr= 1--      16.691                 -1.313                 10.067
 CID2   Fr= 1--       4.373                 -0.295                  4.624
 Raman3 Fr= 1--       7.633                  8.900                  4.354
 ROA3   Fr= 1--      50.641                -52.092                 83.263
 CID3   Fr= 1--       6.634                 -5.853                 19.122
 RC180  Fr= 1--       0.078                  0.676                  0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.08   0.13    -0.03  -0.01  -0.11    -0.05   0.02  -0.11
     2   6     0.01   0.05  -0.03     0.03  -0.00   0.03    -0.01   0.02   0.04
     3   6    -0.04   0.11  -0.01     0.00   0.02   0.01     0.07   0.10   0.00
     4   6    -0.02  -0.03  -0.08     0.01   0.02   0.07     0.10  -0.02   0.05
     5   6     0.08  -0.06   0.06     0.02  -0.01  -0.05     0.07  -0.02  -0.04
     6   6     0.07  -0.10   0.01     0.03  -0.02  -0.03     0.01  -0.08  -0.03
     7   6     0.01  -0.01  -0.03    -0.01  -0.00   0.01     0.01  -0.12  -0.00
     8   6     0.01   0.07   0.03    -0.01  -0.02  -0.00    -0.02  -0.01   0.02
     9   6     0.03   0.03  -0.14     0.01   0.00   0.10    -0.07   0.04   0.06
    10   6     0.07   0.04   0.02     0.02  -0.01  -0.00     0.04   0.11   0.00
    11   6     0.01  -0.03  -0.00    -0.03   0.09   0.00    -0.11  -0.10  -0.09
    12   8    -0.10  -0.13  -0.00    -0.03  -0.03   0.03    -0.06  -0.05   0.03
    13   6     0.04  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    14   1     0.14   0.15  -0.30     0.08   0.04   0.25     0.10   0.11   0.26
    15   1    -0.10   0.12  -0.13     0.03   0.03   0.12     0.10   0.11   0.13
    16   1     0.10  -0.13  -0.16     0.04  -0.00   0.12     0.04  -0.07   0.10
    17   1     0.10  -0.02   0.15    -0.05  -0.01  -0.17    -0.01  -0.13  -0.18
    18   1     0.05   0.11   0.27    -0.03  -0.05  -0.19     0.07   0.06  -0.15
    19   1     0.02   0.08   0.14     0.03  -0.02  -0.11     0.05   0.09  -0.09
    20   1     0.02  -0.03   0.04    -0.01   0.10  -0.05    -0.18  -0.12  -0.12
    21   6    -0.02  -0.01   0.02     0.03   0.04  -0.08    -0.01  -0.01  -0.00
    22   6    -0.07  -0.01   0.03    -0.04  -0.02   0.06    -0.02  -0.03  -0.11
    23   1    -0.06   0.18  -0.02    -0.02   0.05   0.00    -0.06   0.10   0.00
    24   1     0.18  -0.05  -0.02     0.02   0.01  -0.01     0.03   0.02  -0.01
    25   1     0.16  -0.02  -0.01     0.04  -0.01  -0.00     0.05  -0.00  -0.01
    26   1    -0.07   0.00   0.03     0.04  -0.06  -0.03     0.13   0.14  -0.15
    27   1    -0.06  -0.03   0.08     0.10   0.08  -0.24     0.03   0.00   0.09
    28   1    -0.03   0.03  -0.04     0.04  -0.06  -0.05     0.01  -0.00   0.20
    29   8     0.00   0.01  -0.01     0.02  -0.03   0.03    -0.02   0.17   0.02
    30   8    -0.02  -0.00   0.02    -0.06  -0.03  -0.02     0.08  -0.06   0.08
    31   1     0.54   0.06  -0.24     0.66   0.21  -0.40    -0.16  -0.48   0.33
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.6200               684.9949               691.9348
 Red. masses --      2.5507                 3.3633                 4.8409
 Frc consts  --      0.6091                 0.9298                 1.3656
 IR Inten    --     14.2091                21.1621                 5.0547
 RamAct Fr= 1--      2.1900                 0.2264                 1.6440
  Dep-P Fr= 1--      0.7387                 0.7370                 0.0878
  Dep-U Fr= 1--      0.8497                 0.8486                 0.1614
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0297
 Beta2  Fr= 1--      0.3102                 0.0320                 0.0442
 AlphaG Fr= 1--      0.0079                -0.0073                 0.0368
 Gamma2 Fr= 1--     -0.4187                -0.3767                -0.3277
 Delta2 Fr= 1--     -0.4661                 0.2909                -0.1475
 Raman1 Fr= 1--       8.760                  0.906                  6.576
 ROA1   Fr= 1--     -55.108                -26.853                -36.183
 CID1   Fr= 1--      -6.291                -29.654                 -5.502
 Raman2 Fr= 1--       3.722                  0.384                  0.531
 ROA2   Fr= 1--      -6.320                -11.368                 -6.686
 CID2   Fr= 1--      -1.698                -29.587                -12.602
 Raman3 Fr= 1--       7.444                  0.768                  1.061
 ROA3   Fr= 1--     -55.108                -26.853                -36.183
 CID3   Fr= 1--      -7.403                -34.944                -34.100
 RC180  Fr= 1--       0.699                  0.697                 -0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.07     0.03   0.03   0.22    -0.03  -0.01   0.09
     2   6    -0.02   0.02   0.03    -0.05  -0.02  -0.10     0.17   0.03  -0.06
     3   6    -0.07  -0.07   0.03     0.02   0.01  -0.07    -0.11  -0.08  -0.01
     4   6    -0.07  -0.01   0.04     0.02  -0.02  -0.05    -0.07   0.04  -0.01
     5   6    -0.06  -0.01  -0.00     0.00  -0.01  -0.10    -0.06   0.01  -0.04
     6   6    -0.04   0.04  -0.03    -0.03  -0.03   0.14     0.17   0.17   0.01
     7   6     0.03   0.09  -0.03    -0.02  -0.04   0.12     0.13   0.20   0.01
     8   6     0.04   0.06   0.02    -0.05  -0.01  -0.09     0.16  -0.01  -0.05
     9   6     0.08   0.00   0.00     0.02   0.03   0.23     0.01  -0.03   0.09
    10   6    -0.02  -0.05   0.02     0.01   0.03  -0.08    -0.09  -0.15   0.01
    11   6     0.11  -0.15  -0.05     0.03  -0.03  -0.01    -0.14   0.05  -0.01
    12   8     0.05   0.04   0.00     0.02   0.02  -0.03    -0.11  -0.11   0.01
    13   6     0.03  -0.02   0.00     0.00   0.00  -0.00    -0.02  -0.00   0.00
    14   1    -0.06  -0.01   0.19    -0.09  -0.05  -0.46     0.16   0.02  -0.18
    15   1    -0.11  -0.04   0.11    -0.00  -0.01  -0.34    -0.11  -0.09  -0.10
    16   1    -0.02   0.04   0.04    -0.04  -0.02   0.11     0.23   0.15   0.02
    17   1     0.09   0.06  -0.14    -0.03  -0.04   0.07     0.15   0.18  -0.04
    18   1    -0.02   0.01  -0.03    -0.07  -0.04  -0.44     0.09  -0.07  -0.20
    19   1    -0.09  -0.02   0.01    -0.01   0.02  -0.23    -0.08  -0.17  -0.08
    20   1     0.10  -0.16   0.05    -0.01  -0.05  -0.02    -0.16   0.05  -0.08
    21   6    -0.01  -0.04   0.05     0.01   0.01  -0.01    -0.02  -0.00   0.01
    22   6    -0.02   0.01  -0.10     0.07   0.01  -0.08    -0.08  -0.04  -0.03
    23   1     0.06  -0.08   0.01     0.02  -0.04  -0.01    -0.10   0.17  -0.01
    24   1    -0.02  -0.01   0.00    -0.01  -0.01   0.01     0.11  -0.03  -0.01
    25   1    -0.01  -0.02   0.00    -0.04   0.02   0.00     0.10  -0.02  -0.00
    26   1    -0.04   0.14  -0.04     0.06   0.07  -0.06     0.09  -0.05  -0.01
    27   1    -0.14  -0.10   0.34     0.01   0.00   0.05     0.11   0.06  -0.15
    28   1    -0.03   0.15  -0.02     0.02   0.04   0.04     0.01  -0.17   0.19
    29   8    -0.06   0.08  -0.03    -0.05   0.03  -0.00     0.01   0.09   0.00
    30   8    -0.02  -0.01   0.08    -0.04  -0.02   0.04     0.05  -0.08   0.00
    31   1     0.68  -0.17  -0.16     0.36  -0.07  -0.11    -0.18  -0.29   0.17
                     28                     29                     30
                      A                      A                      A
 Frequencies --    757.7788               778.6814               799.9287
 Red. masses --      5.5307                 2.5411                 3.3995
 Frc consts  --      1.8712                 0.9078                 1.2816
 IR Inten    --     23.8688                 2.3281                13.0185
 RamAct Fr= 1--     42.8589                 6.5868                38.4906
  Dep-P Fr= 1--      0.0756                 0.0894                 0.1006
  Dep-U Fr= 1--      0.1406                 0.1642                 0.1828
 Alpha2 Fr= 1--      0.7961                 0.1183                 0.6730
 Beta2  Fr= 1--      1.0046                 0.1802                 1.1725
 AlphaG Fr= 1--      0.1667                 0.0963                -0.4295
 Gamma2 Fr= 1--      0.0527                 0.6202                -1.7884
 Delta2 Fr= 1--      0.2395                -0.2340                 0.2145
 Raman1 Fr= 1--     171.436                 26.347                153.963
 ROA1   Fr= 1--      12.728                 52.054               -164.825
 CID1   Fr= 1--       0.074                  1.976                 -1.071
 Raman2 Fr= 1--      12.055                  2.163                 14.070
 ROA2   Fr= 1--      -0.650                 16.757                -44.639
 CID2   Fr= 1--      -0.054                  7.748                 -3.173
 Raman3 Fr= 1--      24.110                  4.326                 28.141
 ROA3   Fr= 1--      12.728                 52.054               -164.825
 CID3   Fr= 1--       0.528                 12.034                 -5.857
 RC180  Fr= 1--      -0.719                 -0.672                 -0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03     0.01   0.01   0.11     0.00  -0.00   0.01
     2   6     0.12   0.07   0.01    -0.01   0.00  -0.12     0.03  -0.04  -0.05
     3   6    -0.00  -0.11   0.02    -0.02  -0.03  -0.01     0.09   0.09   0.00
     4   6     0.03  -0.10  -0.01     0.01  -0.01   0.19     0.05   0.09   0.09
     5   6    -0.04   0.11   0.03    -0.02  -0.00  -0.19    -0.04  -0.06  -0.03
     6   6     0.11   0.32  -0.05     0.01   0.05   0.01     0.02  -0.11   0.00
     7   6    -0.01  -0.26   0.01    -0.01  -0.05  -0.03     0.00   0.11  -0.09
     8   6    -0.03  -0.06  -0.01     0.00   0.01   0.10     0.01  -0.02  -0.02
     9   6    -0.09   0.04  -0.01    -0.00  -0.00  -0.09    -0.06  -0.01  -0.04
    10   6    -0.05   0.11  -0.02     0.02   0.03   0.04    -0.11  -0.08   0.01
    11   6     0.06  -0.06  -0.02     0.02  -0.03  -0.01    -0.07   0.03  -0.01
    12   8    -0.12  -0.11   0.03    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.04   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.00  -0.02  -0.01     0.00   0.02   0.26     0.13   0.04   0.19
    15   1    -0.02  -0.10   0.07    -0.09  -0.07  -0.49     0.17   0.01  -0.38
    16   1     0.13   0.31  -0.14     0.05   0.10   0.48     0.09  -0.12   0.19
    17   1     0.01  -0.25   0.16    -0.02  -0.09  -0.38    -0.07   0.19   0.25
    18   1     0.15   0.09   0.11     0.01   0.02  -0.07     0.01  -0.00   0.41
    19   1    -0.02   0.11   0.02     0.06   0.05   0.33    -0.13  -0.05   0.25
    20   1    -0.03  -0.11   0.02     0.04  -0.02   0.03    -0.16  -0.01  -0.09
    21   6     0.01  -0.02   0.00     0.01   0.00  -0.02    -0.03  -0.03   0.05
    22   6     0.22   0.05  -0.05    -0.07  -0.01   0.05     0.27   0.04  -0.11
    23   1    -0.15   0.22  -0.01    -0.01   0.02   0.02    -0.01   0.01   0.01
    24   1     0.05   0.02  -0.01     0.01  -0.00  -0.00    -0.01   0.01   0.00
    25   1     0.06   0.02  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    26   1     0.01   0.13  -0.08    -0.04   0.02  -0.01     0.08   0.02  -0.03
    27   1    -0.07  -0.06   0.21    -0.04  -0.02   0.04     0.05   0.00   0.03
    28   1    -0.00   0.13  -0.03    -0.00   0.06  -0.09    -0.01  -0.11   0.21
    29   8    -0.04  -0.07   0.04     0.03  -0.01  -0.01    -0.06  -0.03   0.05
    30   8    -0.07   0.07   0.03     0.02   0.03  -0.01    -0.07   0.01   0.03
    31   1     0.23   0.23  -0.15    -0.09   0.04   0.03     0.17   0.10  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.9915               818.0111               842.1863
 Red. masses --      1.9202                 1.6897                 2.3354
 Frc consts  --      0.7514                 0.6662                 0.9760
 IR Inten    --      5.0373                16.9108                 0.6158
 RamAct Fr= 1--      1.6972                 0.6548                 2.3999
  Dep-P Fr= 1--      0.4903                 0.2443                 0.2080
  Dep-U Fr= 1--      0.6580                 0.3927                 0.3444
 Alpha2 Fr= 1--      0.0088                 0.0079                 0.0319
 Beta2  Fr= 1--      0.1861                 0.0429                 0.1377
 AlphaG Fr= 1--     -0.0511                -0.0086                 0.0135
 Gamma2 Fr= 1--      0.9716                 0.5346                 1.4780
 Delta2 Fr= 1--     -0.2825                -0.1674                 0.1255
 Raman1 Fr= 1--       6.789                  2.619                  9.599
 ROA1   Fr= 1--      84.230                 45.966                145.904
 CID1   Fr= 1--      12.407                 17.550                 15.199
 Raman2 Fr= 1--       2.234                  0.514                  1.653
 ROA2   Fr= 1--      25.578                 14.170                 34.468
 CID2   Fr= 1--      11.451                 27.554                 20.852
 Raman3 Fr= 1--       4.467                  1.029                  3.306
 ROA3   Fr= 1--      84.230                 45.966                145.904
 CID3   Fr= 1--      18.855                 44.691                 44.133
 RC180  Fr= 1--       0.316                 -0.215                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.01   0.01   0.09     0.01  -0.01  -0.06
     2   6    -0.03   0.00  -0.03    -0.01  -0.01  -0.10     0.02   0.01   0.03
     3   6    -0.05  -0.03   0.04     0.01   0.01  -0.00     0.05   0.02   0.04
     4   6    -0.02  -0.02   0.05    -0.00  -0.00  -0.09     0.03   0.01   0.05
     5   6     0.03   0.03   0.01     0.01   0.01   0.12    -0.03  -0.02  -0.04
     6   6    -0.02   0.03  -0.02    -0.01  -0.02  -0.10     0.01  -0.00   0.03
     7   6    -0.02  -0.06  -0.07     0.01   0.01   0.03     0.00   0.02  -0.08
     8   6    -0.01  -0.02  -0.08    -0.00   0.00  -0.03    -0.01   0.01  -0.08
     9   6     0.04   0.01   0.05    -0.00   0.00   0.02    -0.00   0.01   0.12
    10   6     0.07   0.03  -0.03    -0.01  -0.00   0.03    -0.05  -0.02   0.01
    11   6     0.03   0.09   0.07    -0.01  -0.04  -0.03     0.01  -0.13  -0.04
    12   8     0.01   0.01   0.00    -0.00  -0.00  -0.02    -0.01  -0.01   0.02
    13   6     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.03   0.01   0.23     0.07   0.07   0.64     0.00  -0.01  -0.17
    15   1    -0.14  -0.05  -0.30     0.02   0.01   0.03     0.05  -0.03  -0.36
    16   1    -0.04   0.07   0.15     0.06   0.04   0.52     0.04  -0.04  -0.13
    17   1     0.07  -0.02   0.53     0.01   0.02   0.08     0.06   0.09   0.54
    18   1     0.05   0.05   0.48    -0.00   0.00  -0.03     0.03   0.06   0.36
    19   1     0.11   0.02  -0.04    -0.08  -0.04  -0.45    -0.11  -0.01  -0.12
    20   1     0.08   0.12   0.01    -0.02  -0.05  -0.00    -0.02  -0.15   0.06
    21   6    -0.00   0.02   0.04     0.00  -0.00  -0.02     0.03   0.02  -0.11
    22   6    -0.03   0.00  -0.06    -0.01  -0.00   0.03    -0.12  -0.03   0.10
    23   1     0.02  -0.02   0.01    -0.00   0.01   0.03    -0.02   0.03  -0.01
    24   1     0.01  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.01   0.00
    25   1     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.01   0.00
    26   1    -0.05  -0.18   0.18     0.02   0.07  -0.07     0.05   0.23  -0.24
    27   1     0.03   0.04  -0.17    -0.01  -0.01   0.06    -0.05  -0.03   0.18
    28   1     0.00  -0.08  -0.04    -0.00   0.04   0.01     0.02   0.18  -0.08
    29   8    -0.03   0.06  -0.03     0.01  -0.02   0.01     0.05  -0.03   0.00
    30   8     0.01  -0.10  -0.01     0.00   0.04   0.00     0.02   0.08  -0.00
    31   1     0.05  -0.23   0.02    -0.03   0.08   0.00    -0.09   0.12   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    851.6811               896.3611               917.0133
 Red. masses --      3.1362                 1.7087                 1.5513
 Frc consts  --      1.3403                 0.8089                 0.7686
 IR Inten    --      3.4490                33.1949                11.2392
 RamAct Fr= 1--     15.6907                 2.3171                 1.7895
  Dep-P Fr= 1--      0.0651                 0.7323                 0.7337
  Dep-U Fr= 1--      0.1223                 0.8455                 0.8464
 Alpha2 Fr= 1--      0.2989                 0.0007                 0.0005
 Beta2  Fr= 1--      0.3197                 0.3265                 0.2524
 AlphaG Fr= 1--      0.3564                 0.0019                -0.0211
 Gamma2 Fr= 1--     -2.4806                -0.2044                -0.3569
 Delta2 Fr= 1--     -0.2568                -0.1666                -0.1974
 Raman1 Fr= 1--      62.763                  9.269                  7.158
 ROA1   Fr= 1--    -246.355                -24.953                -40.580
 CID1   Fr= 1--      -3.925                 -2.692                 -5.669
 Raman2 Fr= 1--       3.837                  3.918                  3.029
 ROA2   Fr= 1--     -57.481                 -3.573                 -6.987
 CID2   Fr= 1--     -14.981                 -0.912                 -2.307
 Raman3 Fr= 1--       7.674                  7.836                  6.058
 ROA3   Fr= 1--    -246.355                -24.953                -40.580
 CID3   Fr= 1--     -32.104                 -3.184                 -6.698
 RC180  Fr= 1--      -0.755                  0.691                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.01   0.01   0.09    -0.00   0.00   0.01
     2   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.06
     3   6     0.17   0.06  -0.04    -0.02  -0.02  -0.18    -0.01   0.00   0.01
     4   6     0.08   0.03  -0.02     0.01   0.01   0.11    -0.01   0.00  -0.03
     5   6    -0.08  -0.04   0.03    -0.00  -0.00  -0.03     0.01   0.01   0.08
     6   6     0.03   0.01  -0.01     0.00  -0.00   0.02     0.00  -0.01   0.01
     7   6    -0.06  -0.02   0.03    -0.00  -0.00  -0.05     0.01   0.01   0.01
     8   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.01   0.00
     9   6    -0.01   0.03  -0.02    -0.00   0.00   0.02    -0.01   0.01   0.07
    10   6    -0.16  -0.07   0.02     0.00   0.00   0.00    -0.02  -0.00  -0.16
    11   6     0.17   0.05   0.09    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    12   8    -0.04  -0.06   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    13   6    -0.07   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.04   0.00   0.04     0.01   0.00   0.03     0.06   0.04   0.41
    15   1     0.35   0.01   0.06     0.08   0.09   0.87    -0.01   0.01   0.02
    16   1     0.15  -0.03   0.01    -0.00  -0.00  -0.01    -0.02  -0.03  -0.22
    17   1    -0.16   0.01  -0.09     0.02   0.02   0.12    -0.01   0.01  -0.02
    18   1    -0.11   0.00  -0.05     0.04   0.04   0.36     0.01  -0.02  -0.06
    19   1    -0.34  -0.01   0.04     0.01   0.00   0.03     0.10   0.08   0.83
    20   1     0.18   0.06   0.20    -0.01  -0.02   0.01    -0.03  -0.04   0.06
    21   6     0.07   0.02   0.02     0.00   0.00  -0.02     0.02   0.01  -0.04
    22   6    -0.09   0.01  -0.03    -0.01  -0.00   0.01    -0.02  -0.01   0.01
    23   1    -0.09   0.10   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    24   1    -0.03   0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.03   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    26   1    -0.21  -0.17   0.24     0.01   0.03  -0.03     0.01   0.07  -0.07
    27   1    -0.14  -0.07   0.00     0.00   0.00   0.01    -0.02  -0.00   0.04
    28   1     0.01   0.17  -0.39     0.00   0.02   0.00     0.01   0.05  -0.04
    29   8    -0.02   0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8     0.03  -0.10  -0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    31   1     0.03  -0.24   0.03    -0.00   0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.9969               949.5309               961.9769
 Red. masses --      3.7074                 1.3762                 1.3341
 Frc consts  --      1.9178                 0.7310                 0.7274
 IR Inten    --     11.9293                 2.6233                 0.8659
 RamAct Fr= 1--      6.3877                 1.4727                 1.6229
  Dep-P Fr= 1--      0.4042                 0.7416                 0.6382
  Dep-U Fr= 1--      0.5757                 0.8516                 0.7792
 Alpha2 Fr= 1--      0.0466                 0.0002                 0.0033
 Beta2  Fr= 1--      0.6129                 0.2090                 0.2108
 AlphaG Fr= 1--      0.1233                -0.0009                 0.0733
 Gamma2 Fr= 1--      3.3997                -0.2799                 0.9573
 Delta2 Fr= 1--     -1.6736                 0.3720                 0.1973
 Raman1 Fr= 1--      25.551                  5.891                  6.492
 ROA1   Fr= 1--     272.820                -14.972                 98.219
 CID1   Fr= 1--      10.678                 -2.542                 15.130
 Raman2 Fr= 1--       7.354                  2.508                  2.529
 ROA2   Fr= 1--      94.982                 -9.694                 21.397
 CID2   Fr= 1--      12.915                 -3.865                  8.461
 Raman3 Fr= 1--      14.709                  5.017                  5.058
 ROA3   Fr= 1--     272.820                -14.972                 98.219
 CID3   Fr= 1--      18.548                 -2.984                 19.418
 RC180  Fr= 1--       0.151                  0.703                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.03  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.01
     2   6    -0.12   0.19  -0.03     0.00   0.03   0.09    -0.01   0.01  -0.01
     3   6     0.11  -0.12  -0.00     0.01  -0.01  -0.01     0.00  -0.01   0.03
     4   6     0.05  -0.07   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     5   6     0.03  -0.06   0.01     0.01  -0.00   0.05     0.00  -0.00  -0.01
     6   6    -0.03   0.04   0.02    -0.01  -0.01  -0.12     0.00  -0.00   0.02
     7   6    -0.04   0.02  -0.01     0.00   0.01   0.01     0.01   0.02   0.11
     8   6    -0.13   0.20  -0.00    -0.01   0.01  -0.02    -0.01  -0.01  -0.12
     9   6     0.12  -0.03   0.01     0.01  -0.00   0.03     0.00  -0.00   0.01
    10   6     0.09  -0.13  -0.02     0.00  -0.01  -0.07     0.01   0.00   0.01
    11   6    -0.06   0.01  -0.06    -0.01  -0.01   0.01    -0.00  -0.01   0.01
    12   8    -0.01  -0.07   0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
    13   6    -0.08   0.08   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    14   1    -0.18   0.15   0.15    -0.06  -0.04  -0.54    -0.00   0.02   0.05
    15   1     0.20  -0.16   0.02     0.01  -0.01   0.03    -0.00  -0.02  -0.10
    16   1     0.15  -0.04  -0.17     0.09   0.06   0.73     0.00  -0.02  -0.10
    17   1     0.18  -0.05   0.07     0.00  -0.00  -0.06    -0.07  -0.07  -0.67
    18   1    -0.23   0.13  -0.05    -0.00   0.02   0.10     0.07   0.08   0.68
    19   1     0.14  -0.14   0.14     0.05   0.02   0.32     0.01  -0.01  -0.05
    20   1     0.03   0.06  -0.24    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    21   6    -0.08  -0.01   0.03     0.00   0.01  -0.01    -0.00   0.00  -0.01
    22   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   1    -0.10   0.12   0.00    -0.01   0.01  -0.01    -0.00   0.01   0.00
    24   1    -0.04   0.06   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.04   0.06  -0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    26   1     0.14  -0.05  -0.04     0.01   0.02  -0.03     0.01   0.02  -0.02
    27   1     0.17   0.10  -0.17     0.01   0.01  -0.00     0.01   0.01   0.00
    28   1    -0.02  -0.29   0.35     0.00  -0.00   0.01     0.00   0.00   0.01
    29   8     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8    -0.00   0.02   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.01   0.05   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    980.5783              1013.3083              1064.4489
 Red. masses --      3.5449                 2.0895                 1.9344
 Frc consts  --      2.0083                 1.2641                 1.2913
 IR Inten    --      0.9238                41.9814                55.0189
 RamAct Fr= 1--     17.2493                 7.9016                 8.0072
  Dep-P Fr= 1--      0.1347                 0.3920                 0.4683
  Dep-U Fr= 1--      0.2374                 0.5632                 0.6379
 Alpha2 Fr= 1--      0.2771                 0.0602                 0.0455
 Beta2  Fr= 1--      0.6826                 0.7417                 0.8513
 AlphaG Fr= 1--     -0.2745                 0.2083                 0.1521
 Gamma2 Fr= 1--     -1.1519                 1.1545                -0.1812
 Delta2 Fr= 1--     -0.7479                 1.7866                -0.8647
 Raman1 Fr= 1--      68.997                 31.606                 32.029
 ROA1   Fr= 1--    -134.512                167.997                -45.064
 CID1   Fr= 1--      -1.950                  5.315                 -1.407
 Raman2 Fr= 1--       8.191                  8.900                 10.215
 ROA2   Fr= 1--     -21.662                 13.414                  2.569
 CID2   Fr= 1--      -2.645                  1.507                  0.251
 Raman3 Fr= 1--      16.381                 17.800                 20.431
 ROA3   Fr= 1--    -134.512                167.997                -45.064
 CID3   Fr= 1--      -8.211                  9.438                 -2.206
 RC180  Fr= 1--      -0.525                  0.126                  0.276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.06   0.23  -0.02    -0.02  -0.00   0.00     0.01  -0.01  -0.00
     3   6    -0.01  -0.22   0.02     0.00   0.00   0.00     0.00   0.01  -0.00
     4   6     0.00   0.03  -0.00     0.00  -0.02   0.00    -0.01   0.01   0.00
     5   6     0.01  -0.03  -0.00     0.03   0.00  -0.01    -0.03  -0.01   0.00
     6   6     0.00  -0.12   0.02    -0.01   0.02   0.00     0.00   0.00  -0.00
     7   6     0.00   0.13  -0.02     0.01  -0.01  -0.00    -0.03  -0.01   0.01
     8   6     0.05  -0.17   0.03    -0.03   0.08   0.01     0.02  -0.07   0.00
     9   6    -0.09  -0.00  -0.01    -0.01  -0.02  -0.04     0.07   0.04  -0.01
    10   6     0.03   0.18  -0.00     0.04  -0.07   0.02    -0.02   0.06  -0.01
    11   6    -0.00  -0.00   0.06    -0.09   0.02   0.15     0.07   0.08  -0.08
    12   8    -0.00  -0.04   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    13   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    14   1     0.07   0.34  -0.03    -0.04  -0.02   0.01    -0.01  -0.03   0.00
    15   1     0.06  -0.25   0.02    -0.02   0.01  -0.00    -0.01   0.01   0.00
    16   1     0.34  -0.26  -0.03    -0.06   0.04  -0.01     0.02  -0.01   0.01
    17   1    -0.28   0.25   0.05     0.16  -0.06  -0.01    -0.21   0.05   0.01
    18   1    -0.06  -0.26  -0.04    -0.01   0.09  -0.07    -0.01  -0.10   0.03
    19   1     0.03   0.17  -0.12     0.15  -0.13  -0.10    -0.24   0.16   0.06
    20   1    -0.04  -0.02   0.19    -0.14  -0.03   0.61     0.28   0.16   0.09
    21   6     0.05   0.02  -0.03     0.03  -0.00  -0.13    -0.11  -0.10  -0.00
    22   6     0.02   0.02  -0.02     0.05   0.09  -0.00    -0.04   0.07   0.06
    23   1    -0.07   0.08  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    24   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    25   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    26   1    -0.07   0.04   0.00     0.05   0.37  -0.35     0.22   0.27  -0.34
    27   1    -0.08  -0.04   0.06    -0.04  -0.04   0.28     0.13  -0.01   0.27
    28   1     0.02   0.17  -0.20     0.02   0.25  -0.02    -0.05  -0.15   0.51
    29   8    -0.01   0.00  -0.01    -0.03   0.01  -0.02     0.01   0.01  -0.01
    30   8    -0.00  -0.02  -0.00     0.01  -0.11  -0.01     0.02  -0.09  -0.00
    31   1     0.00  -0.02  -0.00    -0.05   0.06  -0.04    -0.06   0.19  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.1747              1106.1044              1159.9581
 Red. masses --      3.5758                 2.1296                 1.8478
 Frc consts  --      2.4174                 1.5351                 1.4648
 IR Inten    --     50.5665                10.3560                33.7692
 RamAct Fr= 1--      3.2391                 4.3794                12.7314
  Dep-P Fr= 1--      0.1488                 0.2731                 0.2581
  Dep-U Fr= 1--      0.2590                 0.4291                 0.4104
 Alpha2 Fr= 1--      0.0502                 0.0486                 0.1475
 Beta2  Fr= 1--      0.1398                 0.3132                 0.8707
 AlphaG Fr= 1--      0.0345                -0.1595                 0.0125
 Gamma2 Fr= 1--      0.3597                -0.6271                 0.8937
 Delta2 Fr= 1--     -0.3142                 2.0552                -1.4709
 Raman1 Fr= 1--      12.956                 17.518                 50.926
 ROA1   Fr= 1--      24.477                  5.562                 38.725
 CID1   Fr= 1--       1.889                  0.317                  0.760
 Raman2 Fr= 1--       1.678                  3.758                 10.449
 ROA2   Fr= 1--      11.146                -31.493                 33.216
 CID2   Fr= 1--       6.644                 -8.380                  3.179
 Raman3 Fr= 1--       3.356                  7.516                 20.898
 ROA3   Fr= 1--      24.477                  5.562                 38.725
 CID3   Fr= 1--       7.295                  0.740                  1.853
 RC180  Fr= 1--      -0.482                 -0.142                 -0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16  -0.06   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.00
     2   6    -0.03   0.10  -0.01    -0.02   0.01   0.00     0.05   0.02  -0.01
     3   6     0.04  -0.08   0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     4   6     0.06   0.04  -0.01    -0.02   0.02   0.00     0.03   0.01  -0.00
     5   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01   0.09  -0.01
     6   6     0.03   0.02  -0.01     0.01  -0.00  -0.00    -0.04  -0.08   0.01
     7   6    -0.01  -0.05   0.01    -0.02  -0.02   0.00     0.01  -0.00  -0.00
     8   6    -0.02   0.03  -0.00    -0.00  -0.01  -0.01    -0.01   0.07  -0.01
     9   6     0.01   0.01   0.00     0.03   0.04   0.03    -0.13  -0.07   0.03
    10   6    -0.03  -0.04   0.00     0.04  -0.06  -0.01    -0.05  -0.03   0.00
    11   6     0.02   0.02  -0.02    -0.06   0.17  -0.16     0.06  -0.00  -0.06
    12   8    -0.15   0.21  -0.00     0.02  -0.01  -0.00     0.02  -0.01  -0.00
    13   6     0.18  -0.21   0.00    -0.01   0.02  -0.00    -0.03   0.00   0.00
    14   1     0.12   0.23  -0.04    -0.04  -0.00   0.00     0.47   0.35  -0.08
    15   1     0.64  -0.33  -0.03     0.02  -0.02   0.00    -0.07  -0.04   0.01
    16   1     0.24  -0.05  -0.02    -0.00   0.00   0.00    -0.32   0.02   0.03
    17   1    -0.06  -0.03   0.01    -0.04  -0.02   0.01     0.12  -0.04  -0.00
    18   1     0.05   0.08  -0.01    -0.00  -0.01   0.04     0.23   0.28  -0.05
    19   1    -0.09  -0.01   0.03     0.12  -0.09   0.03     0.32  -0.17  -0.00
    20   1     0.02   0.02  -0.01    -0.39   0.02  -0.06     0.30   0.11  -0.08
    21   6    -0.01  -0.02   0.01     0.09  -0.12   0.07     0.00  -0.02   0.03
    22   6    -0.01   0.01   0.01    -0.02  -0.03   0.01    -0.00   0.05   0.03
    23   1     0.16  -0.17   0.00    -0.00   0.00   0.00    -0.05   0.04  -0.00
    24   1     0.09  -0.14  -0.01    -0.01   0.01   0.00     0.04   0.00  -0.01
    25   1     0.10  -0.14   0.02    -0.01   0.01  -0.00     0.05  -0.00   0.00
    26   1     0.02   0.02  -0.03    -0.26   0.07   0.11    -0.00  -0.02   0.03
    27   1     0.00  -0.01   0.05    -0.31  -0.30   0.48    -0.00  -0.02   0.01
    28   1    -0.01  -0.02   0.06     0.01   0.34  -0.27    -0.00  -0.00  -0.02
    29   8     0.00   0.00  -0.00     0.02   0.00   0.02    -0.01   0.01  -0.01
    30   8     0.00  -0.01   0.00     0.00   0.00   0.00     0.02  -0.05   0.01
    31   1    -0.01   0.03  -0.01    -0.03   0.10  -0.02    -0.06   0.23  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.6567              1173.6540              1187.6683
 Red. masses --      1.2713                 1.7436                 1.7069
 Frc consts  --      1.0300                 1.4150                 1.4186
 IR Inten    --      0.7728                50.0334                60.2547
 RamAct Fr= 1--      0.8549                19.0496                 1.9876
  Dep-P Fr= 1--      0.7494                 0.1681                 0.3662
  Dep-U Fr= 1--      0.8567                 0.2878                 0.5361
 Alpha2 Fr= 1--      0.0000                 0.2812                 0.0165
 Beta2  Fr= 1--      0.1221                 0.9139                 0.1776
 AlphaG Fr= 1--     -0.0026                -0.1524                -0.0089
 Gamma2 Fr= 1--     -0.1048                 1.0278                -0.0557
 Delta2 Fr= 1--      0.0084                 0.4381                 0.3134
 Raman1 Fr= 1--       3.420                 76.198                  7.950
 ROA1   Fr= 1--      -9.794                112.683                  4.683
 CID1   Fr= 1--      -2.864                  1.479                  0.589
 Raman2 Fr= 1--       1.465                 10.967                  2.131
 ROA2   Fr= 1--      -2.582                 21.162                 -3.843
 CID2   Fr= 1--      -1.763                  1.930                 -1.803
 Raman3 Fr= 1--       2.930                 21.933                  4.262
 ROA3   Fr= 1--      -9.794                112.683                  4.683
 CID3   Fr= 1--      -3.343                  5.138                  1.099
 RC180  Fr= 1--       0.713                 -0.424                  0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.04   0.03  -0.01    -0.09  -0.00   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.04   0.00    -0.03  -0.01   0.00
     3   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.00   0.03  -0.00
     4   6     0.00  -0.00  -0.00     0.02  -0.07   0.01    -0.12   0.06   0.01
     5   6    -0.00   0.00   0.00    -0.03  -0.01   0.00    -0.07   0.03   0.00
     6   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.06  -0.01  -0.00
     7   6     0.00   0.00  -0.00     0.07   0.08  -0.01     0.04  -0.04   0.00
     8   6    -0.00   0.00   0.00    -0.07  -0.01   0.00    -0.01  -0.02   0.00
     9   6    -0.00  -0.00   0.00    -0.07  -0.04   0.02    -0.04   0.01   0.00
    10   6     0.00   0.00  -0.00     0.01   0.06  -0.01     0.03   0.01  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.03  -0.01  -0.00
    12   8     0.00   0.01   0.06    -0.06   0.04   0.00     0.07  -0.06  -0.00
    13   6    -0.01  -0.01  -0.14     0.01  -0.06   0.01     0.01   0.09  -0.01
    14   1    -0.00  -0.00   0.01    -0.24  -0.22   0.05    -0.04  -0.02   0.01
    15   1    -0.00   0.00   0.01    -0.13   0.10   0.00     0.51  -0.18  -0.03
    16   1     0.00  -0.00  -0.00     0.20  -0.05  -0.01     0.39  -0.14  -0.03
    17   1     0.01  -0.00  -0.00     0.48  -0.07  -0.04     0.42  -0.18  -0.02
    18   1    -0.01  -0.01   0.00    -0.45  -0.31   0.09     0.03   0.01  -0.01
    19   1     0.01  -0.00  -0.00     0.18   0.00  -0.00     0.24  -0.07  -0.02
    20   1     0.00   0.00  -0.00     0.13   0.05  -0.07     0.08   0.02  -0.01
    21   6     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.01  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.05   0.02    -0.00   0.01   0.00
    23   1     0.03   0.03   0.28    -0.09   0.15  -0.01     0.19  -0.28   0.01
    24   1     0.41  -0.50   0.19     0.08  -0.02  -0.03    -0.17   0.05   0.06
    25   1    -0.37   0.53   0.17     0.10  -0.04   0.01    -0.17   0.04  -0.03
    26   1    -0.00  -0.00   0.00    -0.04  -0.04   0.07     0.03   0.01  -0.02
    27   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.02     0.03   0.02  -0.01
    28   1     0.00   0.00  -0.00     0.00   0.02  -0.09    -0.01  -0.02   0.03
    29   8    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00     0.02  -0.05   0.02     0.00  -0.01   0.00
    31   1    -0.00   0.01  -0.00    -0.07   0.29  -0.06    -0.01   0.03  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3493              1199.0356              1206.7726
 Red. masses --      1.4858                 1.4665                 1.7066
 Frc consts  --      1.2383                 1.2422                 1.4643
 IR Inten    --     69.0476                74.3854                 8.7596
 RamAct Fr= 1--     11.5062                51.6880                 2.7479
  Dep-P Fr= 1--      0.6007                 0.1914                 0.4513
  Dep-U Fr= 1--      0.7505                 0.3213                 0.6219
 Alpha2 Fr= 1--      0.0318                 0.7181                 0.0168
 Beta2  Fr= 1--      1.4393                 2.7676                 0.2848
 AlphaG Fr= 1--     -0.0399                 0.7638                 0.0344
 Gamma2 Fr= 1--     -0.6458                 3.7328                 1.3005
 Delta2 Fr= 1--      0.8934                -3.3110                 0.6566
 Raman1 Fr= 1--      46.025                206.752                 10.992
 ROA1   Fr= 1--     -33.408                252.399                145.863
 CID1   Fr= 1--      -0.726                  1.221                 13.270
 Raman2 Fr= 1--      17.272                 33.211                  3.418
 ROA2   Fr= 1--     -22.647                116.075                 25.960
 CID2   Fr= 1--      -1.311                  3.495                  7.595
 Raman3 Fr= 1--      34.543                 66.422                  6.836
 ROA3   Fr= 1--     -33.408                252.399                145.863
 CID3   Fr= 1--      -0.967                  3.800                 21.337
 RC180  Fr= 1--       0.501                 -0.357                  0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.00     0.04   0.01  -0.01     0.03   0.06  -0.01
     2   6    -0.03   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.03   0.00
     3   6    -0.03   0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     4   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.09   0.06   0.00
     5   6     0.03  -0.04   0.00    -0.02   0.01   0.00    -0.06   0.03   0.00
     6   6     0.02   0.02  -0.00     0.03  -0.02  -0.00     0.01  -0.03   0.00
     7   6    -0.03   0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.05   0.01
     8   6     0.04   0.02  -0.01     0.00   0.03  -0.00     0.02  -0.02   0.00
     9   6    -0.02  -0.01   0.02    -0.09  -0.02   0.00     0.05   0.06  -0.01
    10   6     0.00  -0.01  -0.00     0.01  -0.01   0.00     0.03  -0.03  -0.00
    11   6    -0.03  -0.07  -0.04     0.07   0.06   0.02    -0.02  -0.05   0.00
    12   8    -0.02  -0.02   0.00    -0.03   0.02   0.00     0.05   0.04  -0.01
    13   6     0.04   0.03  -0.01    -0.00  -0.03   0.00    -0.10  -0.07   0.02
    14   1    -0.30  -0.20   0.05    -0.30  -0.24   0.05    -0.08  -0.10   0.02
    15   1    -0.15   0.07   0.01    -0.19   0.08   0.01     0.27  -0.12  -0.02
    16   1     0.28  -0.07  -0.02     0.39  -0.16  -0.02     0.09  -0.07  -0.00
    17   1    -0.37   0.13   0.03    -0.15   0.07   0.01    -0.09  -0.03   0.01
    18   1     0.34   0.27  -0.06     0.27   0.26  -0.07     0.20   0.12  -0.03
    19   1    -0.01  -0.01   0.02     0.35  -0.15  -0.05     0.06  -0.04   0.00
    20   1     0.04  -0.04  -0.09     0.17   0.11   0.04    -0.12  -0.10  -0.03
    21   6     0.03   0.03   0.03    -0.03  -0.04  -0.01     0.00   0.03   0.00
    22   6     0.01   0.08   0.03    -0.02  -0.06  -0.02     0.00   0.03   0.01
    23   1     0.13  -0.17   0.00    -0.08   0.12  -0.00    -0.37   0.50  -0.01
    24   1    -0.14   0.03   0.04     0.06  -0.02  -0.02     0.35  -0.06  -0.10
    25   1    -0.15   0.02  -0.02     0.06  -0.01   0.01     0.37  -0.04   0.04
    26   1    -0.05  -0.10   0.13     0.06   0.10  -0.12    -0.00  -0.06   0.05
    27   1    -0.05   0.00  -0.13     0.06  -0.01   0.12    -0.00   0.03  -0.10
    28   1     0.01  -0.02  -0.15    -0.02   0.03   0.13     0.00  -0.04  -0.04
    29   8    -0.02   0.02  -0.03     0.02  -0.02   0.02    -0.01   0.01  -0.02
    30   8     0.03  -0.07   0.03    -0.02   0.05  -0.03     0.01  -0.03   0.02
    31   1    -0.11   0.42  -0.08     0.09  -0.34   0.07    -0.05   0.19  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1260.8625              1296.9268              1304.8106
 Red. masses --      1.8117                 1.7765                 2.7008
 Frc consts  --      1.6969                 1.7605                 2.7092
 IR Inten    --     74.2116                21.5172               247.5652
 RamAct Fr= 1--     35.6027                 5.6431                19.8768
  Dep-P Fr= 1--      0.2426                 0.1717                 0.2066
  Dep-U Fr= 1--      0.3905                 0.2930                 0.3425
 Alpha2 Fr= 1--      0.4308                 0.0825                 0.2652
 Beta2  Fr= 1--      2.3170                 0.2756                 1.1346
 AlphaG Fr= 1--      0.2031                 0.0421                -0.0839
 Gamma2 Fr= 1--      4.2371                -3.3456                -2.2152
 Delta2 Fr= 1--     -0.3196                -0.0894                -1.1479
 Raman1 Fr= 1--     142.411                 22.572                 79.507
 ROA1   Fr= 1--     396.538               -324.039               -249.390
 CID1   Fr= 1--       2.784                -14.355                 -3.137
 Raman2 Fr= 1--      27.804                  3.307                 13.616
 ROA2   Fr= 1--     104.249                -79.580                -43.981
 CID2   Fr= 1--       3.749                -24.064                 -3.230
 Raman3 Fr= 1--      55.608                  6.614                 27.231
 ROA3   Fr= 1--     396.538               -324.039               -249.390
 CID3   Fr= 1--       7.131                -48.992                 -9.158
 RC180  Fr= 1--      -0.219                 -0.414                 -0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.01     0.03   0.05  -0.01     0.22   0.12  -0.03
     2   6    -0.02   0.03  -0.00     0.05  -0.00  -0.00     0.03   0.03  -0.01
     3   6    -0.04   0.04   0.00     0.05   0.04  -0.01     0.02  -0.04   0.00
     4   6    -0.03  -0.02   0.01    -0.07  -0.14   0.02    -0.11   0.11   0.00
     5   6     0.14  -0.10  -0.00    -0.08  -0.12   0.02     0.01   0.04  -0.01
     6   6     0.01   0.05  -0.01    -0.01   0.04  -0.00     0.00  -0.10   0.01
     7   6    -0.02   0.05  -0.00    -0.01   0.06  -0.01    -0.01  -0.03   0.00
     8   6     0.01   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.04   0.01
     9   6    -0.08  -0.10   0.03    -0.02   0.02  -0.00     0.00  -0.00   0.00
    10   6    -0.01   0.04  -0.00     0.05   0.05  -0.01     0.02  -0.03  -0.00
    11   6    -0.03   0.02  -0.02     0.01   0.00   0.01    -0.02  -0.01  -0.01
    12   8     0.07   0.00  -0.01    -0.04  -0.01   0.00    -0.16  -0.02   0.02
    13   6    -0.05  -0.00   0.01     0.02  -0.00  -0.00     0.10  -0.02  -0.01
    14   1    -0.25  -0.15   0.04     0.03  -0.02  -0.00    -0.24  -0.20   0.04
    15   1     0.37  -0.13  -0.02     0.46  -0.12  -0.03     0.12  -0.07  -0.01
    16   1    -0.20   0.14   0.01    -0.44   0.20   0.02    -0.39   0.04   0.04
    17   1     0.21  -0.03  -0.02    -0.36   0.19   0.02     0.38  -0.18  -0.02
    18   1     0.18   0.15  -0.03     0.08   0.04  -0.01     0.27   0.18  -0.05
    19   1    -0.44   0.19   0.04     0.51  -0.12  -0.05    -0.33   0.10   0.03
    20   1     0.38   0.20   0.02    -0.01  -0.01  -0.02     0.09   0.04  -0.00
    21   6     0.03  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.00   0.00
    22   6     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    23   1    -0.12   0.15  -0.00     0.04  -0.04  -0.00     0.09  -0.04  -0.01
    24   1     0.13  -0.02  -0.03    -0.06   0.01   0.01    -0.27   0.04   0.04
    25   1     0.14  -0.01   0.01    -0.06   0.01  -0.00    -0.28   0.04   0.00
    26   1    -0.05   0.03   0.01     0.01   0.02  -0.02    -0.01  -0.01   0.01
    27   1    -0.05  -0.05   0.07     0.02   0.01  -0.01    -0.03  -0.01   0.01
    28   1     0.01   0.05  -0.06    -0.01   0.03   0.00     0.01  -0.01  -0.02
    29   8     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   8    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    31   1     0.02  -0.10   0.02    -0.01   0.05  -0.01     0.02  -0.08   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1323.9740              1347.0919              1349.2066
 Red. masses --      1.8706                 1.4375                 2.1221
 Frc consts  --      1.9320                 1.5369                 2.2760
 IR Inten    --      2.3585                 3.7775                27.7952
 RamAct Fr= 1--     11.0458                 7.8122                 1.4330
  Dep-P Fr= 1--      0.3200                 0.7158                 0.7140
  Dep-U Fr= 1--      0.4848                 0.8344                 0.8332
 Alpha2 Fr= 1--      0.1066                 0.0046                 0.0009
 Beta2  Fr= 1--      0.8926                 1.0864                 0.1990
 AlphaG Fr= 1--      0.3694                 0.0445                 0.0148
 Gamma2 Fr= 1--      5.3767                -2.8914                 0.2076
 Delta2 Fr= 1--     -2.1317                 1.2100                 0.4554
 Raman1 Fr= 1--      44.183                 31.249                  5.732
 ROA1   Fr= 1--     447.949               -238.857                 34.505
 CID1   Fr= 1--      10.138                 -7.644                  6.020
 Raman2 Fr= 1--      10.711                 13.036                  2.388
 ROA2   Fr= 1--     146.095                -79.074                  1.339
 CID2   Fr= 1--      13.640                 -6.066                  0.561
 Raman3 Fr= 1--      21.422                 26.073                  4.776
 ROA3   Fr= 1--     447.949               -238.857                 34.505
 CID3   Fr= 1--      20.911                 -9.161                  7.225
 RC180  Fr= 1--      -0.030                  0.669                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.02   0.01   0.00
     2   6     0.02  -0.03   0.00    -0.01   0.01  -0.00    -0.01   0.01   0.00
     3   6     0.04   0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.00
     4   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.11   0.03   0.01     0.05  -0.01  -0.01     0.03  -0.01  -0.00
     6   6    -0.03   0.00   0.00     0.02  -0.01  -0.00     0.02   0.00  -0.00
     7   6    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.02   0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00  -0.01  -0.00    -0.01  -0.01   0.00
     9   6     0.10  -0.03   0.01    -0.04   0.03   0.01    -0.03   0.03   0.00
    10   6     0.03   0.04  -0.01    -0.02  -0.03   0.00    -0.01  -0.02   0.00
    11   6    -0.16  -0.04  -0.08     0.05   0.00  -0.14     0.02  -0.04  -0.03
    12   8    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.22   0.12  -0.03    -0.12  -0.07   0.02    -0.07  -0.04   0.01
    15   1    -0.05   0.05   0.00     0.04  -0.04  -0.00     0.02  -0.03   0.00
    16   1     0.21  -0.09  -0.01    -0.12   0.05   0.01    -0.08   0.04   0.00
    17   1    -0.10   0.03   0.01    -0.02   0.01  -0.00    -0.04   0.03   0.00
    18   1     0.04   0.05   0.01    -0.06  -0.06   0.03    -0.05  -0.04   0.01
    19   1     0.02   0.06   0.01     0.07  -0.06   0.01     0.06  -0.04   0.02
    20   1     0.61   0.27   0.40    -0.18  -0.18   0.85    -0.27  -0.14  -0.39
    21   6     0.04   0.01   0.03    -0.04   0.06   0.04    -0.00  -0.02   0.04
    22   6     0.03   0.05   0.01    -0.01   0.00  -0.00     0.01   0.25   0.13
    23   1     0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1    -0.12   0.00   0.10     0.08  -0.13   0.10     0.04   0.11  -0.06
    27   1    -0.15  -0.06  -0.07     0.03   0.09  -0.17     0.00  -0.00  -0.15
    28   1     0.03  -0.01  -0.13    -0.02  -0.19   0.01    -0.01   0.03  -0.13
    29   8     0.02  -0.04   0.04     0.02  -0.02   0.02     0.01  -0.06   0.00
    30   8    -0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.03  -0.04  -0.07
    31   1     0.07  -0.32   0.06     0.01  -0.06   0.01     0.17  -0.73   0.11
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1389.2627              1403.3210              1412.6404
 Red. masses --      2.4601                 2.6046                 3.6615
 Frc consts  --      2.7975                 3.0221                 4.3050
 IR Inten    --     14.2226                13.1619                 1.4105
 RamAct Fr= 1--     94.0131                 2.7653               523.9574
  Dep-P Fr= 1--      0.1869                 0.1764                 0.2021
  Dep-U Fr= 1--      0.3149                 0.2999                 0.3363
 Alpha2 Fr= 1--      1.3216                 0.0400                 7.0758
 Beta2  Fr= 1--      4.9341                 0.1382                29.3641
 AlphaG Fr= 1--      0.2219                -0.0119                 1.7962
 Gamma2 Fr= 1--      2.7228                -1.2291                 5.1395
 Delta2 Fr= 1--      4.8457                -2.3909                -2.5182
 Raman1 Fr= 1--     376.052                 11.061               2095.829
 ROA1   Fr= 1--     416.449               -194.501                412.814
 CID1   Fr= 1--       1.107                -17.584                  0.197
 Raman2 Fr= 1--      59.209                  1.659                352.369
 ROA2   Fr= 1--      26.580                -10.370                143.494
 CID2   Fr= 1--       0.449                 -6.252                  0.407
 Raman3 Fr= 1--     118.419                  3.317                704.737
 ROA3   Fr= 1--     416.449               -194.501                412.814
 CID3   Fr= 1--       3.517                -58.634                  0.586
 RC180  Fr= 1--      -0.370                 -0.400                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.19  -0.01    -0.06   0.03   0.00    -0.01  -0.06   0.01
     2   6    -0.06  -0.03   0.01    -0.12  -0.06   0.02     0.06   0.06  -0.01
     3   6    -0.00  -0.10   0.01     0.16  -0.05  -0.01    -0.10  -0.01   0.01
     4   6     0.04  -0.06   0.00    -0.06  -0.02   0.01     0.09   0.25  -0.03
     5   6     0.05   0.12  -0.02    -0.06  -0.04   0.01    -0.07  -0.23   0.03
     6   6     0.13  -0.06  -0.01     0.11   0.06  -0.02    -0.03   0.04  -0.00
     7   6     0.09  -0.03  -0.01     0.09   0.07  -0.02     0.14  -0.08  -0.01
     8   6    -0.02   0.04  -0.00    -0.13  -0.08   0.02    -0.11  -0.05   0.01
     9   6    -0.01   0.07  -0.00    -0.07   0.03   0.00    -0.06   0.18  -0.01
    10   6    -0.06  -0.06   0.01     0.14  -0.05  -0.01     0.08  -0.06  -0.00
    11   6    -0.04  -0.03   0.03     0.04   0.01  -0.01    -0.03  -0.03   0.01
    12   8     0.02  -0.03   0.00    -0.00   0.02  -0.00     0.02  -0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    14   1    -0.26  -0.19   0.05     0.25   0.25  -0.05    -0.13  -0.09   0.02
    15   1     0.10  -0.16   0.01    -0.39   0.16   0.02    -0.19   0.02   0.02
    16   1    -0.21   0.07   0.01    -0.13   0.16  -0.00    -0.32   0.14   0.02
    17   1    -0.47   0.18   0.03     0.01   0.11  -0.01    -0.03  -0.01   0.00
    18   1    -0.32  -0.20   0.05     0.35   0.32  -0.07    -0.16  -0.09   0.03
    19   1    -0.07  -0.07   0.01    -0.40   0.15   0.03     0.22  -0.12  -0.01
    20   1     0.43   0.20  -0.12    -0.07  -0.04   0.04     0.48   0.21  -0.05
    21   6     0.02  -0.01  -0.02    -0.01   0.02  -0.01    -0.00  -0.04   0.04
    22   6     0.00  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.03  -0.02
    23   1     0.07  -0.09   0.00     0.07  -0.16   0.01    -0.02   0.03  -0.00
    24   1    -0.00  -0.02   0.04     0.10  -0.02  -0.00     0.01  -0.00  -0.00
    25   1    -0.01  -0.03  -0.03     0.10  -0.02  -0.01     0.01  -0.00  -0.00
    26   1    -0.05   0.01   0.01     0.02  -0.09   0.04     0.06   0.22  -0.14
    27   1    -0.05  -0.04   0.06    -0.02   0.00   0.08     0.08   0.01  -0.22
    28   1     0.02   0.01   0.01     0.01  -0.08   0.06    -0.04   0.15  -0.21
    29   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   8     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.01   0.01
    31   1    -0.01   0.05  -0.01    -0.00   0.01  -0.00    -0.01   0.05  -0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1418.6748              1456.8846              1479.8450
 Red. masses --      1.3078                 3.3322                 1.2094
 Frc consts  --      1.5508                 4.1671                 1.5604
 IR Inten    --      3.3840                 1.5734                 7.1192
 RamAct Fr= 1--     39.9883               160.7498                 5.7061
  Dep-P Fr= 1--      0.1969                 0.2620                 0.5353
  Dep-U Fr= 1--      0.3290                 0.4152                 0.6973
 Alpha2 Fr= 1--      0.5476                 1.8419                 0.0236
 Beta2  Fr= 1--      2.1926                11.1234                 0.6632
 AlphaG Fr= 1--      0.1596                 0.3849                 0.0077
 Gamma2 Fr= 1--     -0.3396                 3.0834                -0.5534
 Delta2 Fr= 1--     -0.1331                 0.2101                 0.0432
 Raman1 Fr= 1--     159.953                642.999                 22.824
 ROA1   Fr= 1--     -36.864                302.727                -51.747
 CID1   Fr= 1--      -0.230                  0.471                 -2.267
 Raman2 Fr= 1--      26.311                133.481                  7.958
 ROA2   Fr= 1--      -7.086                 72.319                -13.628
 CID2   Fr= 1--      -0.269                  0.542                 -1.712
 Raman3 Fr= 1--      52.622                266.961                 15.916
 ROA3   Fr= 1--     -36.864                302.727                -51.747
 CID3   Fr= 1--      -0.701                  1.134                 -3.251
 RC180  Fr= 1--      -0.342                 -0.170                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.04  -0.15   0.01    -0.01  -0.01   0.00
     2   6     0.03   0.02  -0.00    -0.12   0.04   0.01    -0.05  -0.03   0.01
     3   6    -0.03   0.00   0.00     0.13   0.03  -0.02    -0.01   0.01   0.00
     4   6     0.03   0.04  -0.01    -0.17   0.01   0.02    -0.01  -0.01   0.00
     5   6    -0.01  -0.04   0.00     0.15  -0.01  -0.01     0.02  -0.00  -0.00
     6   6    -0.02   0.00   0.00     0.11   0.00  -0.01     0.01   0.03  -0.00
     7   6     0.02  -0.01  -0.00    -0.12  -0.01   0.01     0.03  -0.01  -0.00
     8   6    -0.02  -0.00   0.00     0.13  -0.04  -0.01    -0.00   0.01  -0.00
     9   6    -0.01   0.02  -0.00    -0.02   0.17  -0.01    -0.03   0.01   0.00
    10   6     0.01   0.00  -0.00    -0.13  -0.03   0.02     0.01  -0.02   0.00
    11   6    -0.00  -0.01  -0.00    -0.03  -0.05   0.01     0.00  -0.00  -0.00
    12   8     0.01  -0.00  -0.00    -0.02   0.04  -0.00     0.03  -0.01  -0.00
    13   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.07  -0.07  -0.00
    14   1    -0.05  -0.04   0.01     0.04   0.19  -0.02     0.16   0.13  -0.03
    15   1     0.02  -0.02  -0.00    -0.31   0.23   0.01     0.04  -0.01  -0.00
    16   1    -0.04   0.01   0.00    -0.20   0.13   0.01     0.09   0.00  -0.01
    17   1     0.00  -0.00  -0.00     0.19  -0.14  -0.00    -0.08   0.04   0.00
    18   1    -0.03  -0.01   0.00    -0.07  -0.23   0.03    -0.06  -0.04   0.01
    19   1     0.10  -0.04  -0.01     0.42  -0.25  -0.02    -0.06   0.01   0.01
    20   1     0.02   0.00  -0.06     0.38   0.14  -0.06     0.03   0.01  -0.01
    21   6     0.03   0.07  -0.11     0.01   0.00  -0.02    -0.00   0.00  -0.00
    22   6     0.00   0.04   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.01   0.02  -0.00    -0.00  -0.04   0.00    -0.23   0.52  -0.03
    24   1    -0.01   0.00   0.00     0.07   0.02  -0.04    -0.44   0.27  -0.15
    25   1    -0.01   0.00   0.00     0.07   0.03   0.03    -0.41   0.30   0.18
    26   1    -0.23  -0.43   0.30    -0.07  -0.02   0.03     0.04  -0.02  -0.00
    27   1    -0.23  -0.08   0.51    -0.04  -0.02   0.03     0.01   0.00   0.03
    28   1     0.10  -0.26   0.47     0.02  -0.01   0.07    -0.00  -0.01  -0.03
    29   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.02  -0.08   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1494.9600              1495.6971              1502.6655
 Red. masses --      1.0488                 1.0467                 1.0524
 Frc consts  --      1.3810                 1.3796                 1.4001
 IR Inten    --      9.7971                 7.7628                12.0344
 RamAct Fr= 1--      5.1580                 9.7856                 5.5735
  Dep-P Fr= 1--      0.7417                 0.7482                 0.5798
  Dep-U Fr= 1--      0.8517                 0.8560                 0.7340
 Alpha2 Fr= 1--      0.0007                 0.0003                 0.0178
 Beta2  Fr= 1--      0.7321                 1.3960                 0.6819
 AlphaG Fr= 1--      0.0070                 0.0078                 0.1777
 Gamma2 Fr= 1--      0.4925                -0.3772                 2.8378
 Delta2 Fr= 1--     -0.6225                 0.1409                 1.5485
 Raman1 Fr= 1--      20.632                 39.142                 22.294
 ROA1   Fr= 1--      27.362                -31.702                321.985
 CID1   Fr= 1--       1.326                 -0.810                 14.443
 Raman2 Fr= 1--       8.786                 16.752                  8.182
 ROA2   Fr= 1--      16.801                -10.179                 55.719
 CID2   Fr= 1--       1.912                 -0.608                  6.810
 Raman3 Fr= 1--      17.572                 33.504                 16.365
 ROA3   Fr= 1--      27.362                -31.702                321.985
 CID3   Fr= 1--       1.557                 -0.946                 19.676
 RC180  Fr= 1--       0.703                  0.712                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    12   8    -0.01   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01   0.00  -0.00    -0.01  -0.01  -0.06    -0.00  -0.00   0.00
    14   1     0.01   0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    18   1    -0.03  -0.03   0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.02
    20   1     0.05   0.05  -0.05    -0.00  -0.00   0.00     0.02  -0.01   0.05
    21   6    -0.04   0.02   0.01     0.00  -0.00  -0.00    -0.03  -0.04  -0.02
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    23   1     0.02  -0.04   0.01     0.07   0.07   0.71     0.00  -0.01  -0.00
    24   1     0.03  -0.01   0.01    -0.47  -0.05   0.13     0.00   0.01  -0.01
    25   1     0.04  -0.01  -0.01     0.48   0.06   0.01     0.00   0.01   0.00
    26   1     0.60  -0.35  -0.06    -0.01   0.01   0.00    -0.15  -0.30   0.20
    27   1     0.13   0.06   0.46    -0.00  -0.00  -0.01     0.61   0.24   0.07
    28   1    -0.05  -0.12  -0.49     0.00   0.00   0.01    -0.06   0.62   0.13
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.9339              1524.3811              1547.5136
 Red. masses --      1.0601                 2.3928                 3.5057
 Frc consts  --      1.4184                 3.2760                 4.9464
 IR Inten    --     47.9664                21.1815                75.5772
 RamAct Fr= 1--     17.3042               123.1852                 8.9810
  Dep-P Fr= 1--      0.4542                 0.2737                 0.2273
  Dep-U Fr= 1--      0.6247                 0.4298                 0.3705
 Alpha2 Fr= 1--      0.1043                 1.3648                 0.1133
 Beta2  Fr= 1--      1.8016                 8.8239                 0.5545
 AlphaG Fr= 1--      0.0139                 0.4022                 0.0188
 Gamma2 Fr= 1--      0.6030                -1.1901                 0.2237
 Delta2 Fr= 1--      0.0624                -0.6534                -0.0784
 Raman1 Fr= 1--      69.217                492.741                 35.924
 ROA1   Fr= 1--      59.890               -135.157                 18.971
 CID1   Fr= 1--       0.865                 -0.274                  0.528
 Raman2 Fr= 1--      21.620                105.886                  6.654
 ROA2   Fr= 1--      13.974                -23.335                  5.997
 CID2   Fr= 1--       0.646                 -0.220                  0.901
 Raman3 Fr= 1--      43.240                211.773                 13.309
 ROA3   Fr= 1--      59.890               -135.157                 18.971
 CID3   Fr= 1--       1.385                 -0.638                  1.425
 RC180  Fr= 1--       0.249                 -0.140                 -0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.00     0.14  -0.02  -0.01     0.08   0.17  -0.03
     2   6     0.00  -0.00   0.00    -0.05  -0.06   0.01    -0.06  -0.16   0.02
     3   6    -0.01   0.00   0.00    -0.03   0.05  -0.00    -0.10  -0.03   0.01
     4   6    -0.00   0.00  -0.00    -0.13   0.04   0.01     0.12  -0.06  -0.01
     5   6     0.00  -0.00  -0.00     0.08  -0.02  -0.01     0.14  -0.06  -0.01
     6   6    -0.01   0.00   0.00    -0.08   0.05   0.00    -0.14   0.12   0.00
     7   6     0.01  -0.01  -0.00     0.11  -0.09  -0.00    -0.09   0.10  -0.00
     8   6     0.00   0.01  -0.00     0.06   0.10  -0.02    -0.05  -0.13   0.02
     9   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.01   0.18  -0.02
    10   6     0.00  -0.00  -0.00     0.07  -0.04  -0.00    -0.05  -0.06   0.01
    11   6     0.00   0.00  -0.00     0.03   0.00  -0.00    -0.01  -0.03   0.00
    12   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.00
    13   6    -0.03  -0.04   0.01    -0.02   0.03  -0.00    -0.01   0.02  -0.00
    14   1    -0.00  -0.01   0.00     0.30   0.21  -0.05     0.39   0.18  -0.06
    15   1     0.04  -0.02  -0.00     0.15  -0.01  -0.01     0.24  -0.17  -0.01
    16   1     0.02  -0.01  -0.00     0.28  -0.08  -0.02     0.45  -0.10  -0.04
    17   1    -0.04   0.01   0.00    -0.41   0.10   0.03     0.31  -0.05  -0.03
    18   1    -0.03  -0.02   0.01    -0.38  -0.25   0.06     0.25   0.10  -0.04
    19   1    -0.02   0.01   0.00    -0.26   0.08   0.02     0.14  -0.14  -0.00
    20   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.18   0.06  -0.02
    21   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
    23   1     0.14  -0.36   0.03     0.05  -0.13   0.01     0.06  -0.12   0.00
    24   1     0.17   0.44  -0.44     0.13  -0.18   0.13     0.07  -0.06   0.04
    25   1     0.25   0.52   0.30     0.10  -0.20  -0.12     0.06  -0.07  -0.05
    26   1    -0.01   0.01  -0.00    -0.08   0.04   0.01    -0.00  -0.00  -0.00
    27   1    -0.01  -0.01  -0.01    -0.04  -0.01  -0.05     0.01   0.00  -0.00
    28   1     0.00  -0.01   0.01     0.01  -0.01   0.08    -0.00   0.01   0.00
    29   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.1984              1652.2589              1676.2956
 Red. masses --      6.8291                 5.6802                 6.3361
 Frc consts  --     10.4192                 9.1364                10.4900
 IR Inten    --      5.9389                99.5114                67.2266
 RamAct Fr= 1--     82.0601                 5.6123               302.2136
  Dep-P Fr= 1--      0.6145                 0.7488                 0.3685
  Dep-U Fr= 1--      0.7612                 0.8563                 0.5385
 Alpha2 Fr= 1--      0.2041                 0.0001                 2.4966
 Beta2  Fr= 1--     10.4107                 0.8010                27.1238
 AlphaG Fr= 1--      0.1679                -0.0061                 2.2047
 Gamma2 Fr= 1--      4.4760                -0.3694                17.9545
 Delta2 Fr= 1--     -3.4428                -0.2929                -2.3557
 Raman1 Fr= 1--     328.240                 22.449               1208.854
 ROA1   Fr= 1--     319.523                -44.835               1648.246
 CID1   Fr= 1--       0.973                 -1.997                  1.363
 Raman2 Fr= 1--     124.928                  9.612                325.485
 ROA2   Fr= 1--     134.966                 -6.522                449.752
 CID2   Fr= 1--       1.080                 -0.679                  1.382
 Raman3 Fr= 1--     249.857                 19.224                650.970
 ROA3   Fr= 1--     319.523                -44.835               1648.246
 CID3   Fr= 1--       1.279                 -2.332                  2.532
 RC180  Fr= 1--       0.522                  0.713                  0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.24   0.02    -0.20   0.13   0.01    -0.15   0.11   0.00
     2   6     0.20   0.17  -0.04     0.20   0.03  -0.02     0.17   0.01  -0.02
     3   6    -0.06   0.16  -0.01     0.20  -0.13  -0.01     0.23  -0.11  -0.01
     4   6    -0.08  -0.27   0.04    -0.01   0.00   0.00    -0.25   0.07   0.02
     5   6     0.07   0.27  -0.03    -0.03  -0.02   0.01     0.25  -0.09  -0.02
     6   6    -0.15  -0.09   0.02    -0.20   0.02   0.02    -0.24   0.06   0.02
     7   6     0.14   0.09  -0.02    -0.23   0.01   0.02     0.22  -0.05  -0.02
     8   6    -0.17  -0.15   0.03     0.24   0.06  -0.03    -0.16  -0.03   0.02
     9   6    -0.05   0.24  -0.02    -0.20   0.11   0.01     0.13  -0.08  -0.00
    10   6     0.10  -0.17   0.01     0.21  -0.12  -0.01    -0.21   0.10   0.01
    11   6     0.00  -0.02   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    12   8     0.00   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    13   6    -0.01  -0.01   0.00     0.02  -0.00  -0.00     0.02  -0.01  -0.00
    14   1    -0.25  -0.19   0.04    -0.16  -0.27   0.04    -0.08  -0.19   0.03
    15   1     0.23   0.05  -0.03    -0.29   0.05   0.02    -0.31   0.10   0.02
    16   1     0.11  -0.20   0.01     0.17  -0.13  -0.00     0.29  -0.15  -0.02
    17   1    -0.13   0.20  -0.01     0.18  -0.17  -0.00    -0.25   0.14   0.01
    18   1     0.18   0.15  -0.03    -0.19  -0.31   0.05     0.09   0.18  -0.03
    19   1    -0.33  -0.02   0.04    -0.33   0.07   0.03     0.33  -0.10  -0.03
    20   1     0.19   0.06  -0.01     0.12   0.03  -0.01    -0.08  -0.02   0.01
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.01  -0.01   0.01
    23   1    -0.03   0.03   0.00     0.01   0.03  -0.00     0.01   0.02  -0.00
    24   1     0.01   0.01  -0.02    -0.06   0.05  -0.04    -0.05   0.04  -0.03
    25   1     0.01   0.01   0.01    -0.05   0.06   0.04    -0.04   0.05   0.03
    26   1    -0.02   0.01  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    27   1     0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.01  -0.00   0.01
    28   1    -0.00   0.02   0.02     0.01  -0.00   0.03    -0.00  -0.01  -0.02
    29   8     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    30   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1808.2370              3008.3383              3045.5832
 Red. masses --      9.5572                 1.0348                 1.0364
 Frc consts  --     18.4116                 5.5175                 5.6638
 IR Inten    --    361.2354                68.5769                29.1135
 RamAct Fr= 1--     32.4660               231.8185               251.6252
  Dep-P Fr= 1--      0.1839                 0.0394                 0.0812
  Dep-U Fr= 1--      0.3107                 0.0758                 0.1502
 Alpha2 Fr= 1--      0.4599                 4.6958                 4.6115
 Beta2  Fr= 1--      1.6814                 2.9299                 6.3008
 AlphaG Fr= 1--      0.1727                 0.4355                -1.2922
 Gamma2 Fr= 1--      4.0354                 0.5257                -0.8078
 Delta2 Fr= 1--     -4.5430                -0.8295                 0.3438
 Raman1 Fr= 1--     129.864                927.274               1006.501
 ROA1   Fr= 1--     242.026                 23.928                -66.549
 CID1   Fr= 1--       1.864                  0.026                 -0.066
 Raman2 Fr= 1--      20.177                 35.159                 75.610
 ROA2   Fr= 1--     133.194                 19.254                -22.139
 CID2   Fr= 1--       6.601                  0.548                 -0.293
 Raman3 Fr= 1--      40.354                 70.318                151.220
 ROA3   Fr= 1--     242.026                 23.928                -66.549
 CID3   Fr= 1--       5.998                  0.340                 -0.440
 RC180  Fr= 1--      -0.379                 -0.848                 -0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.03   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.02  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03   0.01  -0.07    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.04   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    20   1     0.13   0.03   0.22     0.00  -0.00  -0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.04
    22   6     0.33  -0.31   0.54     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.26   0.13  -0.04    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.12  -0.42  -0.51     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.32   0.60     0.00   0.00  -0.00
    26   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00    -0.21  -0.27  -0.46
    27   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.17   0.39   0.03
    28   1     0.00  -0.01   0.03     0.00   0.00  -0.00     0.69   0.05  -0.05
    29   8    -0.20   0.22  -0.33    -0.00   0.00  -0.00     0.00   0.00   0.00
    30   8    -0.03   0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1     0.11  -0.46   0.08    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.1576              3083.8909              3106.9101
 Red. masses --      1.1058                 1.0851                 1.1020
 Frc consts  --      6.1174                 6.0800                 6.2673
 IR Inten    --     36.5745                 4.6656                28.2040
 RamAct Fr= 1--     67.1167                67.3078               112.0858
  Dep-P Fr= 1--      0.7500                 0.2041                 0.6947
  Dep-U Fr= 1--      0.8571                 0.3390                 0.8198
 Alpha2 Fr= 1--      0.0000                 0.9042                 0.1084
 Beta2  Fr= 1--      9.5880                 3.8029                15.3152
 AlphaG Fr= 1--     -0.0139                 0.2991                 0.2915
 Gamma2 Fr= 1--      2.2975                -3.1379                -4.2010
 Delta2 Fr= 1--      1.5319                -0.5448                 1.4246
 Raman1 Fr= 1--     268.467                269.231                448.343
 ROA1   Fr= 1--     269.576               -318.674               -357.714
 CID1   Fr= 1--       1.004                 -1.184                 -0.798
 Raman2 Fr= 1--     115.056                 45.635                183.782
 ROA2   Fr= 1--      42.884                -70.952               -112.221
 CID2   Fr= 1--       0.373                 -1.555                 -0.611
 Raman3 Fr= 1--     230.112                 91.269                367.565
 ROA3   Fr= 1--     269.576               -318.674               -357.714
 CID3   Fr= 1--       1.171                 -3.492                 -0.973
 RC180  Fr= 1--       0.714                 -0.322                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.00   0.00  -0.00
    12   8     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.01  -0.01  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.02  -0.02  -0.00    -0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.40   0.88   0.07     0.03  -0.06  -0.00
    21   6     0.00   0.00  -0.00    -0.01   0.02   0.00    -0.08  -0.02  -0.04
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.14   0.46   0.52    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1    -0.03  -0.34   0.61     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.01  -0.01  -0.02     0.24   0.33   0.57
    27   1     0.00  -0.00  -0.00     0.08  -0.19  -0.01     0.05  -0.16  -0.02
    28   1    -0.00  -0.00   0.00     0.07   0.01  -0.00     0.68   0.05  -0.06
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3131.1859              3134.4976              3165.8144
 Red. masses --      1.1003                 1.0988                 1.0863
 Frc consts  --      6.3562                 6.3604                 6.4146
 IR Inten    --     15.2651                25.1774                 3.9294
 RamAct Fr= 1--     24.6397               172.2849                59.7519
  Dep-P Fr= 1--      0.5447                 0.4224                 0.7276
  Dep-U Fr= 1--      0.7053                 0.5939                 0.8423
 Alpha2 Fr= 1--      0.0970                 1.1758                 0.0230
 Beta2  Fr= 1--      2.8963                17.0537                 8.3884
 AlphaG Fr= 1--     -0.1852                -0.1515                -0.0492
 Gamma2 Fr= 1--     -0.9450                -0.5959                -2.8264
 Delta2 Fr= 1--     -0.8836                -0.7356                 1.7697
 Raman1 Fr= 1--      98.559                689.140                239.008
 ROA1   Fr= 1--    -118.996                -80.742               -214.701
 CID1   Fr= 1--      -1.207                 -0.117                 -0.898
 Raman2 Fr= 1--      34.756                204.644                100.660
 ROA2   Fr= 1--     -15.610                 -8.416                -81.990
 CID2   Fr= 1--      -0.449                 -0.041                 -0.815
 Raman3 Fr= 1--      69.511                409.288                201.321
 ROA3   Fr= 1--    -118.996                -80.742               -214.701
 CID3   Fr= 1--      -1.712                 -0.197                 -1.066
 RC180  Fr= 1--       0.411                  0.188                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.06   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.07  -0.05   0.01    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.05   0.01
    16   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.24   0.65  -0.09
    18   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.45  -0.54   0.02
    19   1    -0.02  -0.06   0.01     0.00  -0.00   0.00     0.01   0.02  -0.00
    20   1    -0.08   0.19   0.01    -0.00   0.00   0.00     0.01  -0.03  -0.00
    21   6     0.03  -0.08  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   1    -0.01  -0.00   0.00     0.86   0.41  -0.13     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.03   0.11   0.15     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.01   0.08  -0.17    -0.00   0.00  -0.00
    26   1     0.15   0.18   0.33     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.34   0.79   0.03    -0.00   0.01   0.00     0.00  -0.01  -0.00
    28   1    -0.19  -0.03   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3170.2965              3179.4823              3182.8696
 Red. masses --      1.0890                 1.0894                 1.0944
 Frc consts  --      6.4490                 6.4887                 6.5322
 IR Inten    --      5.3200                11.0683                11.4679
 RamAct Fr= 1--     41.9085                45.2025               123.1737
  Dep-P Fr= 1--      0.4527                 0.4505                 0.1998
  Dep-U Fr= 1--      0.6232                 0.6212                 0.3330
 Alpha2 Fr= 1--      0.2541                 0.2765                 1.6738
 Beta2  Fr= 1--      4.3531                 4.6799                 6.8363
 AlphaG Fr= 1--      0.0666                 0.1013                -0.4606
 Gamma2 Fr= 1--     -0.1236                 4.7228                -3.3209
 Delta2 Fr= 1--     -1.2835                 5.0623                -1.5547
 Raman1 Fr= 1--     167.634                180.810                492.695
 ROA1   Fr= 1--     -52.937                615.387               -368.555
 CID1   Fr= 1--      -0.316                  3.404                 -0.748
 Raman2 Fr= 1--      52.237                 56.159                 82.036
 ROA2   Fr= 1--       7.302                 72.850                -67.263
 CID2   Fr= 1--       0.140                  1.297                 -0.820
 Raman3 Fr= 1--     104.475                112.318                164.072
 ROA3   Fr= 1--     -52.937                615.387               -368.555
 CID3   Fr= 1--      -0.507                  5.479                 -2.246
 RC180  Fr= 1--       0.246                  0.242                 -0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.03  -0.08   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     8   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.01   0.01  -0.00    -0.03  -0.08   0.01     0.00   0.02  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.11  -0.15   0.00     0.03  -0.03   0.00    -0.00   0.01  -0.00
    15   1     0.02   0.05  -0.01     0.00   0.01  -0.00    -0.11  -0.29   0.04
    16   1     0.33   0.89  -0.12     0.06   0.17  -0.02    -0.00  -0.01   0.00
    17   1    -0.00  -0.00   0.00     0.04   0.11  -0.02     0.23   0.60  -0.09
    18   1     0.01  -0.01   0.00    -0.10   0.12  -0.00    -0.42   0.51  -0.01
    19   1    -0.06  -0.17   0.02     0.33   0.89  -0.11    -0.06  -0.17   0.02
    20   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3186.9783              3214.7815              3728.7439
 Red. masses --      1.0905                 1.0911                 1.0641
 Frc consts  --      6.5260                 6.6438                 8.7165
 IR Inten    --      7.7096                 7.8298                69.0306
 RamAct Fr= 1--    184.7701               132.7193               119.9415
  Dep-P Fr= 1--      0.2069                 0.2299                 0.2538
  Dep-U Fr= 1--      0.3428                 0.3738                 0.4048
 Alpha2 Fr= 1--      2.4639                 1.6631                 1.4066
 Beta2  Fr= 1--     10.5566                 8.2685                 8.0923
 AlphaG Fr= 1--     -0.4380                 0.2308                 0.9935
 Gamma2 Fr= 1--     -1.5641                 1.5021                11.8368
 Delta2 Fr= 1--     -0.9124                 0.3083                -2.9799
 Raman1 Fr= 1--     739.080                530.877                479.766
 ROA1   Fr= 1--    -179.355                154.071               1040.975
 CID1   Fr= 1--      -0.243                  0.290                  2.170
 Raman2 Fr= 1--     126.679                 99.222                 97.108
 ROA2   Fr= 1--     -30.240                 33.585                307.922
 CID2   Fr= 1--      -0.239                  0.338                  3.171
 Raman3 Fr= 1--     253.358                198.445                194.216
 ROA3   Fr= 1--    -179.355                154.071               1040.975
 CID3   Fr= 1--      -0.708                  0.776                  5.360
 RC180  Fr= 1--      -0.314                 -0.252                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.05  -0.07   0.00     0.00   0.00  -0.00
     3   6    -0.03  -0.08   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00    -0.61   0.76  -0.01     0.00  -0.00   0.00
    15   1     0.34   0.87  -0.12     0.00   0.01  -0.00     0.00   0.00  -0.00
    16   1    -0.02  -0.05   0.01     0.07   0.17  -0.02    -0.00  -0.00   0.00
    17   1     0.08   0.23  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.11   0.14  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.02  -0.05   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.05
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.36   0.31   0.88

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  8 and mass  15.99491
 Atom    30 has atomic number  8 and mass  15.99491
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1413.160478595.740719106.36968
           X            0.99993  -0.00576  -0.01068
           Y            0.00565   0.99993  -0.00995
           Z            0.01074   0.00989   0.99989
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06129     0.01008     0.00951
 Rotational constants (GHZ):           1.27710     0.20996     0.19818
 Zero-point vibrational energy     658224.9 (Joules/Mol)
                                  157.31952 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     19.83    56.16    70.94   107.33   166.62
          (Kelvin)            200.39   262.35   281.43   332.49   334.59
                              357.15   390.95   438.01   504.56   566.93
                              600.01   608.45   673.54   695.19   769.98
                              801.93   831.46   858.12   888.37   915.95
                              985.55   995.54  1090.27  1120.35  1150.92
                             1172.59  1176.94  1211.72  1225.38  1289.66
                             1319.38  1348.13  1366.16  1384.07  1410.83
                             1457.92  1531.50  1541.18  1591.44  1668.92
                             1687.19  1688.63  1708.79  1711.21  1725.14
                             1736.28  1814.10  1865.99  1877.33  1904.90
                             1938.16  1941.21  1998.84  2019.07  2032.47
                             2041.16  2096.13  2129.17  2150.91  2151.97
                             2162.00  2168.14  2193.24  2226.53  2315.28
                             2377.23  2411.82  2601.65  4328.33  4381.91
                             4408.64  4437.03  4470.15  4505.08  4509.84
                             4554.90  4561.35  4574.57  4579.44  4585.35
                             4625.35  5364.83
 
 Zero-point correction=                           0.250705 (Hartree/Particle)
 Thermal correction to Energy=                    0.266022
 Thermal correction to Enthalpy=                  0.266966
 Thermal correction to Gibbs Free Energy=         0.206297
 Sum of electronic and zero-point Energies=           -767.722578
 Sum of electronic and thermal Energies=              -767.707261
 Sum of electronic and thermal Enthalpies=            -767.706317
 Sum of electronic and thermal Free Energies=         -767.766985
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.931             58.703            127.688
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.070
 Vibrational            165.154             52.741             52.416
 Vibration     1          0.593              1.986              7.374
 Vibration     2          0.594              1.981              5.308
 Vibration     3          0.595              1.978              4.845
 Vibration     4          0.599              1.966              4.028
 Vibration     5          0.608              1.936              3.169
 Vibration     6          0.615              1.914              2.814
 Vibration     7          0.630              1.864              2.304
 Vibration     8          0.636              1.846              2.174
 Vibration     9          0.653              1.793              1.870
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.662              1.766              1.743
 Vibration    12          0.675              1.725              1.585
 Vibration    13          0.695              1.665              1.392
 Vibration    14          0.728              1.574              1.163
 Vibration    15          0.761              1.483              0.985
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.825              1.321              0.743
 Vibration    19          0.839              1.287              0.702
 Vibration    20          0.890              1.172              0.576
 Vibration    21          0.913              1.124              0.529
 Vibration    22          0.934              1.079              0.489
 Vibration    23          0.954              1.039              0.456
 Vibration    24          0.977              0.995              0.421
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.128798D-94        -94.890089       -218.492505
 Total V=0       0.266640D+21         20.425925         47.032431
 Vib (Bot)       0.249369-109       -109.603158       -252.370597
 Vib (Bot)    1  0.150337D+02          1.177067          2.710297
 Vib (Bot)    2  0.530147D+01          0.724397          1.667985
 Vib (Bot)    3  0.419277D+01          0.622501          1.433362
 Vib (Bot)    4  0.276301D+01          0.441382          1.016320
 Vib (Bot)    5  0.176635D+01          0.247078          0.568917
 Vib (Bot)    6  0.146018D+01          0.164406          0.378558
 Vib (Bot)    7  0.110062D+01          0.041636          0.095870
 Vib (Bot)    8  0.102106D+01          0.009052          0.020843
 Vib (Bot)    9  0.851884D+00         -0.069620         -0.160305
 Vib (Bot)   10  0.845994D+00         -0.072633         -0.167243
 Vib (Bot)   11  0.786894D+00         -0.104084         -0.239662
 Vib (Bot)   12  0.710607D+00         -0.148371         -0.341636
 Vib (Bot)   13  0.623134D+00         -0.205419         -0.472994
 Vib (Bot)   14  0.525876D+00         -0.279117         -0.642690
 Vib (Bot)   15  0.454303D+00         -0.342654         -0.788990
 Vib (Bot)   16  0.422007D+00         -0.374680         -0.862733
 Vib (Bot)   17  0.414287D+00         -0.382699         -0.881196
 Vib (Bot)   18  0.360874D+00         -0.442644         -1.019226
 Vib (Bot)   19  0.345193D+00         -0.461939         -1.063653
 Vib (Bot)   20  0.297404D+00         -0.526653         -1.212664
 Vib (Bot)   21  0.279563D+00         -0.553520         -1.274527
 Vib (Bot)   22  0.264239D+00         -0.578003         -1.330900
 Vib (Bot)   23  0.251279D+00         -0.599845         -1.381193
 Vib (Bot)   24  0.237484D+00         -0.624365         -1.437653
 Vib (V=0)       0.516246D+06          5.712857         13.154339
 Vib (V=0)    1  0.155421D+02          1.191508          2.743549
 Vib (V=0)    2  0.582500D+01          0.765296          1.762159
 Vib (V=0)    3  0.472248D+01          0.674170          1.552334
 Vib (V=0)    4  0.330788D+01          0.519550          1.196308
 Vib (V=0)    5  0.233576D+01          0.368428          0.848336
 Vib (V=0)    6  0.204341D+01          0.310356          0.714621
 Vib (V=0)    7  0.170887D+01          0.232708          0.535830
 Vib (V=0)    8  0.163691D+01          0.214025          0.492811
 Vib (V=0)    9  0.148778D+01          0.172538          0.397284
 Vib (V=0)   10  0.148270D+01          0.171054          0.393867
 Vib (V=0)   11  0.143231D+01          0.156037          0.359289
 Vib (V=0)   12  0.136889D+01          0.136367          0.313997
 Vib (V=0)   13  0.129893D+01          0.113587          0.261544
 Vib (V=0)   14  0.122563D+01          0.088361          0.203459
 Vib (V=0)   15  0.117557D+01          0.070248          0.161751
 Vib (V=0)   16  0.115429D+01          0.062313          0.143482
 Vib (V=0)   17  0.114933D+01          0.060446          0.139182
 Vib (V=0)   18  0.111663D+01          0.047909          0.110313
 Vib (V=0)   19  0.110758D+01          0.044377          0.102181
 Vib (V=0)   20  0.108176D+01          0.034132          0.078593
 Vib (V=0)   21  0.107285D+01          0.030538          0.070317
 Vib (V=0)   22  0.106553D+01          0.027565          0.063471
 Vib (V=0)   23  0.105959D+01          0.025138          0.057882
 Vib (V=0)   24  0.105353D+01          0.022648          0.052149
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.376492D+07          6.575756         15.141237
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655554444444333332221111111000999998888887766665555444433322221111    
     2            1887763308640                             0750420099851108442096098877607618653195411075983197538621950743398317431
     9            5739064174468                             8629847365079339974571799843061431207762285098257768753837414283162965994
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                    X XXX                             XXX X X         X  X X XXXX X XXX     X           XX                     
     X                        X                             XXX X X            X X XXXX   XX                  X                      
     X                        X                             XXX X              X X XX                                                
                                                            X X                X                                                     
                                                            X X                X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000389    0.000001424   -0.000000038
      2        6           0.000000144   -0.000000742   -0.000000096
      3        6          -0.000001098   -0.000000526    0.000000059
      4        6           0.000000500    0.000000285    0.000000187
      5        6           0.000000395    0.000000199   -0.000000347
      6        6          -0.000000318   -0.000000418    0.000000172
      7        6          -0.000001379   -0.000001039    0.000000095
      8        6           0.000000228    0.000000638    0.000000125
      9        6          -0.000000186    0.000000675   -0.000000349
     10        6          -0.000000081   -0.000000802    0.000000272
     11        6           0.000000188   -0.000000131    0.000000473
     12        8          -0.000000119    0.000000109   -0.000000101
     13        6           0.000000311   -0.000000081    0.000000818
     14        1          -0.000000048    0.000000444   -0.000000092
     15        1          -0.000000006    0.000000374   -0.000000092
     16        1           0.000000269    0.000000444   -0.000000095
     17        1           0.000000103    0.000000767   -0.000000068
     18        1           0.000000203   -0.000000709    0.000000054
     19        1           0.000000188    0.000000207   -0.000000058
     20        1           0.000000102   -0.000000320   -0.000000003
     21        6          -0.000000637   -0.000000792    0.000000022
     22        6          -0.000000766   -0.000000261   -0.000000945
     23        1           0.000000155    0.000000503   -0.000000250
     24        1           0.000000003    0.000000232   -0.000000364
     25        1           0.000000003    0.000000660   -0.000000620
     26        1           0.000000069   -0.000000092    0.000000166
     27        1          -0.000000030    0.000000060    0.000000020
     28        1           0.000000719   -0.000000290    0.000000072
     29        8           0.000000389   -0.000000517    0.000000674
     30        8           0.000000514   -0.000000005    0.000000823
     31        1          -0.000000202   -0.000000296   -0.000000514
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001424 RMS     0.000000462
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.290372D+03 -0.193419D+02 -0.801563D+01
      2  -0.193419D+02  0.179467D+03 -0.513583D+01
      3  -0.801563D+01 -0.513583D+01  0.119795D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.113434D+02  0.202675D+02  0.300928D+01
      2  -0.790877D+02 -0.187485D+01 -0.260182D+02
      3   0.102174D+03 -0.422214D+02 -0.511505D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.420844D+03 -0.107866D+03 -0.880042D+02
      2  -0.180867D+03  0.908466D+02  0.880912D+01
      3  -0.239977D+03  0.170192D+02  0.791951D+02
      4  -0.575750D+02  0.862227D+02 -0.487437D+01
      5  -0.102634D+02  0.114011D+01 -0.849344D+02
      6  -0.394102D+01  0.198484D+02 -0.206761D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.383499D+02 -0.757934D+01 -0.135953D+01 -0.381673D+01  0.235092D+01
      2  -0.757934D+01  0.943999D+01 -0.165999D+00  0.235092D+01 -0.141560D+02
      3  -0.135953D+01 -0.165999D+00  0.276619D+01  0.583335D+00  0.152432D+01
                 6             7             8             9            10 
      1   0.583335D+00 -0.190582D+01  0.104232D+01  0.702863D+01  0.500107D+01
      2   0.152432D+01  0.104232D+01  0.231314D+00 -0.143253D+01  0.211674D+01
      3  -0.178839D+00  0.702863D+01 -0.143253D+01 -0.118277D+01 -0.256616D+00
                11            12            13            14            15 
      1   0.211674D+01 -0.256616D+00 -0.143329D+02  0.404384D+01  0.108048D+01
      2   0.993969D+01 -0.157220D+01  0.404384D+01  0.423245D+01 -0.142911D+01
      3  -0.157220D+01  0.197187D+01  0.108048D+01 -0.142911D+01 -0.124541D+01
                16            17            18            19            20 
      1   0.162968D+01 -0.492146D+00  0.409582D+01 -0.365222D+02  0.119890D+02
      2  -0.492146D+00 -0.199708D+01 -0.269354D+01  0.119890D+02 -0.908168D+01
      3   0.409582D+01 -0.269354D+01 -0.263225D+00  0.141059D+01  0.642975D+00
                21            22            23            24            25 
      1   0.141059D+01  0.192946D+02 -0.529051D+01 -0.776519D+00  0.174541D+01
      2   0.642975D+00 -0.529051D+01  0.755110D+01  0.268100D+00 -0.139151D+00
      3  -0.381869D+00 -0.776519D+00  0.268100D+00  0.187733D+01  0.242132D+00
                26            27            28            29            30 
      1  -0.139151D+00  0.242132D+00  0.366763D+02 -0.107518D+02 -0.119777D+01
      2   0.115048D+01  0.460958D+01 -0.107518D+02  0.322776D+01  0.377174D+00
      3   0.460958D+01 -0.117373D+01 -0.119777D+01  0.377174D+00  0.155740D+00
                31            32            33            34            35 
      1   0.442660D+02 -0.868905D+01 -0.298629D+01 -0.805239D+01  0.216180D+01
      2  -0.868905D+01  0.834617D+01  0.300260D+00  0.216180D+01 -0.109417D+01
      3  -0.298629D+01  0.300260D+00  0.170993D+00  0.134920D+01  0.784385D+00
                36            37            38            39            40 
      1   0.134920D+01 -0.400791D+02  0.114771D+02  0.133989D+01 -0.409979D+02
      2   0.784385D+00  0.114771D+02 -0.750916D+01 -0.490961D+00  0.754839D+01
      3  -0.199559D+00  0.133989D+01 -0.490961D+00  0.169204D+00  0.272053D+01
                41            42            43            44            45 
      1   0.754839D+01  0.272053D+01  0.820324D+01 -0.201727D+01 -0.140406D+01
      2  -0.604275D+01 -0.143726D+00 -0.201727D+01  0.127572D+01 -0.674407D+00
      3  -0.143726D+00 -0.259987D+00 -0.140406D+01 -0.674407D+00  0.202390D+00
                46            47            48            49            50 
      1  -0.559494D+01 -0.327733D+01  0.988656D+00 -0.126826D+01  0.377863D+01
      2  -0.327733D+01 -0.517145D+01  0.404183D+00  0.377863D+01 -0.284932D+01
      3   0.988656D+00  0.404183D+00 -0.170019D+01 -0.744424D+00 -0.670086D+00
                51            52            53            54            55 
      1  -0.744424D+00  0.707921D+00 -0.508289D+00 -0.754495D+00  0.103036D+02
      2  -0.670086D+00 -0.508289D+00 -0.104271D+00 -0.418316D+01  0.184355D+01
      3  -0.109674D+01 -0.754495D+00 -0.418316D+01  0.138856D+01 -0.168199D+01
                56            57            58            59            60 
      1   0.184355D+01 -0.168199D+01 -0.362264D+00 -0.298899D+01  0.767336D+00
      2   0.982256D+01 -0.855624D-01 -0.298899D+01  0.483156D+00  0.727316D+00
      3  -0.855624D-01  0.138885D+01  0.767336D+00  0.727316D+00  0.111299D+01
                61            62            63            64            65 
      1  -0.641255D+00  0.728052D+00  0.137620D+01 -0.513320D+01 -0.247556D+01
      2   0.728052D+00  0.131985D+00  0.453243D+01 -0.247556D+01 -0.138909D+02
      3   0.137620D+01  0.453243D+01 -0.141909D+01  0.446557D+00  0.135036D+01
                66            67            68            69            70 
      1   0.446557D+00  0.109032D+02 -0.188206D+01 -0.483243D+00 -0.365215D+01
      2   0.135036D+01 -0.188206D+01 -0.759519D+01  0.129666D+01  0.211389D+00
      3  -0.203214D+01 -0.483243D+00  0.129666D+01  0.123888D+01 -0.557573D+01
                71            72            73            74            75 
      1   0.211389D+00 -0.557573D+01 -0.475062D+02  0.567087D+01  0.171062D+01
      2   0.286766D+01  0.259013D+01  0.567087D+01 -0.491650D+01  0.270696D+00
      3   0.259013D+01  0.712697D+00  0.171062D+01  0.270696D+00 -0.133051D+01
                76            77            78            79            80 
      1   0.816637D+01 -0.241467D+01 -0.119597D+01  0.586853D+00 -0.113247D+01
      2  -0.241467D+01  0.177069D+02 -0.131929D+01 -0.113247D+01 -0.798538D+00
      3  -0.119597D+01 -0.131929D+01 -0.295819D+00 -0.633218D+01  0.816491D+00
                81            82            83            84            85 
      1  -0.633218D+01  0.421932D+02 -0.117623D+02 -0.163272D+01 -0.215399D+02
      2   0.816491D+00 -0.117623D+02  0.114535D+02 -0.600188D+00  0.273827D+01
      3   0.979299D+00 -0.163272D+01 -0.600188D+00  0.243716D+00  0.516889D+00
                86            87            88            89            90 
      1   0.273827D+01  0.516889D+00 -0.361677D+01  0.195065D+00 -0.343072D+00
      2  -0.755727D+01  0.914389D-01  0.195065D+00 -0.102976D+01 -0.356843D+01
      3   0.914389D-01 -0.167837D+01 -0.343072D+00 -0.356843D+01  0.140059D+01
                91            92            93            94            95 
      1   0.735514D+01 -0.173592D+01 -0.113983D+01  0.454303D+01  0.219900D+01
      2  -0.173592D+01  0.200672D+01 -0.532384D-02  0.219900D+01 -0.296560D+01
      3  -0.113983D+01 -0.532384D-02  0.183669D+01 -0.597188D+00 -0.471013D+00
                96            97            98            99           100 
      1  -0.597188D+00  0.522099D+01  0.455359D+00  0.669686D+01 -0.104164D+02
      2  -0.471013D+00  0.455359D+00  0.146655D-01  0.226650D+01  0.451402D+01
      3   0.310353D+01  0.669686D+01  0.226650D+01 -0.632836D+00  0.270637D+00
               101           102           103           104           105 
      1   0.451402D+01  0.270637D+00 -0.330987D+00  0.284334D+01 -0.342379D+00
      2  -0.395924D+01  0.208133D-01  0.284334D+01  0.128339D+01 -0.405274D+00
      3   0.208133D-01  0.250602D+00 -0.342379D+00 -0.405274D+00 -0.756233D+00
               106           107           108           109           110 
      1   0.104276D+01 -0.633374D+00  0.112642D+00 -0.173708D+00 -0.441296D+01
      2  -0.633374D+00  0.405583D+00  0.753824D+00 -0.441296D+01  0.172982D+01
      3   0.112642D+00  0.753824D+00 -0.115157D+00  0.368543D+00  0.736948D+00
               111           112           113           114           115 
      1   0.368543D+00 -0.530523D+01 -0.157241D+01  0.100475D+01  0.288029D+00
      2   0.736948D+00 -0.157241D+01  0.166619D+01  0.964120D+00  0.864942D+00
      3  -0.108841D+00  0.100475D+01  0.964120D+00  0.562577D+01 -0.212069D+01
               116           117           118           119           120 
      1   0.864942D+00 -0.212069D+01  0.646723D+01 -0.312764D+01 -0.320534D+00
      2   0.602982D+00  0.440451D+01 -0.312764D+01  0.283448D+01  0.128622D-01
      3   0.440451D+01 -0.106993D+01 -0.320534D+00  0.128622D-01  0.298379D+00
               121           122           123           124           125 
      1  -0.434936D+01  0.460772D+01 -0.178681D+00 -0.390418D+00 -0.206700D+00
      2   0.460772D+01 -0.559171D+01  0.783202D-01 -0.206700D+00  0.252122D+00
      3  -0.178681D+00  0.783202D-01 -0.601942D+00 -0.437756D+00 -0.475797D-01
               126           127           128           129           130 
      1  -0.437756D+00  0.172833D+01  0.275449D+01 -0.379410D+00  0.332842D+01
      2  -0.475797D-01  0.275449D+01  0.219857D+01 -0.433972D+00  0.363241D+01
      3   0.131820D+00 -0.379410D+00 -0.433972D+00  0.441346D+00 -0.546405D+00
               131           132           133           134           135 
      1   0.363241D+01 -0.546405D+00 -0.495994D+00 -0.626178D+00  0.319011D+00
      2   0.764776D+01 -0.986767D+00 -0.626178D+00 -0.103155D+01  0.168794D+00
      3  -0.986767D+00  0.105640D+01  0.319011D+00  0.168794D+00 -0.182415D+00
               136           137           138           139           140 
      1  -0.821781D+00 -0.159047D+01  0.239466D+00 -0.507123D+00 -0.120535D+01
      2  -0.159047D+01 -0.229617D+01  0.380091D+00 -0.120535D+01 -0.915365D+01
      3   0.239466D+00  0.380091D+00 -0.290361D+00  0.111784D+00  0.101092D+01
               141           142           143           144           145 
      1   0.111784D+00  0.168133D+00  0.299374D+00  0.788045D-01  0.112046D+01
      2   0.101092D+01  0.299374D+00  0.121736D+01 -0.187877D+00  0.173411D+01
      3  -0.967482D+00  0.788045D-01 -0.187877D+00  0.115312D+00 -0.265384D+00
               146           147           148           149           150 
      1   0.173411D+01 -0.265384D+00  0.818219D+00  0.172409D+01 -0.149977D+00
      2   0.265215D+01 -0.399002D+00  0.172409D+01  0.104426D+02 -0.105741D+01
      3  -0.399002D+00  0.295228D+00 -0.149977D+00 -0.105741D+01  0.100918D+01
               151           152           153           154           155 
      1   0.217680D+00 -0.430662D+00  0.579262D-01 -0.563345D+01  0.341476D+01
      2  -0.430662D+00 -0.137705D+01  0.187936D+00  0.341476D+01 -0.354311D+01
      3   0.579262D-01  0.187936D+00 -0.119406D+00  0.269793D+00 -0.587251D-01
               156           157           158           159           160 
      1   0.269793D+00  0.376782D+01 -0.462351D+01  0.163935D+00  0.101027D+00
      2  -0.587251D-01 -0.462351D+01  0.628475D+01  0.648749D-02  0.267474D+00
      3  -0.447627D+00  0.163935D+00  0.648749D-02  0.738191D+00  0.407989D+00
               161           162           163           164           165 
      1   0.267474D+00  0.407989D+00 -0.752137D+00 -0.159309D+01  0.963139D+00
      2  -0.274340D+00  0.239966D+00 -0.159309D+01 -0.686220D+00  0.473620D+00
      3   0.239966D+00 -0.168086D+00  0.963139D+00  0.473620D+00 -0.318055D+00
               166           167           168           169           170 
      1  -0.275686D+01 -0.267090D+01  0.606873D+00  0.105189D+01  0.743648D+00
      2  -0.267090D+01 -0.556951D+01  0.829844D+00  0.743648D+00  0.641026D+00
      3   0.606873D+00  0.829844D+00 -0.939974D+00 -0.224182D+00 -0.657437D-01
               171           172           173           174           175 
      1  -0.224182D+00 -0.164423D+01  0.226657D+01  0.219780D+00  0.438147D+01
      2  -0.657437D-01  0.226657D+01 -0.167294D+01 -0.240029D+00 -0.234172D+01
      3   0.174288D+00  0.219780D+00 -0.240029D+00 -0.913454D+00 -0.557279D+00
               176           177           178           179           180 
      1  -0.234172D+01 -0.557279D+00 -0.129019D+00 -0.260584D+00 -0.127771D+01
      2   0.496122D+01  0.414248D+00 -0.260584D+00  0.293768D+00  0.566013D+00
      3   0.414248D+00  0.100930D+01 -0.127771D+01  0.566013D+00  0.382511D+00
               181           182           183           184           185 
      1   0.974062D+01  0.134080D+01 -0.155942D+01 -0.174712D+01 -0.192394D+01
      2   0.134080D+01 -0.144860D+01 -0.420868D+00 -0.192394D+01  0.246341D+01
      3  -0.155942D+01 -0.420868D+00 -0.284517D+01  0.808230D+00 -0.287041D+00
               186           187           188           189           190 
      1   0.808230D+00  0.268950D+01  0.413054D+00 -0.397790D+01  0.549016D+01
      2  -0.287041D+00  0.413054D+00  0.709700D-01 -0.313158D+01 -0.866984D+00
      3  -0.482085D+01 -0.397790D+01 -0.313158D+01 -0.581543D+00  0.287757D+01
               191           192           193           194           195 
      1  -0.866984D+00  0.287757D+01 -0.367247D+01 -0.547741D+00 -0.231868D+01
      2  -0.202276D+00 -0.940291D+00 -0.547741D+00  0.966202D-01  0.339865D+00
      3  -0.940291D+00  0.149263D+01 -0.231868D+01  0.339865D+00 -0.441758D+01
               196           197           198           199           200 
      1   0.476555D+01 -0.151170D+01  0.790539D+00  0.140381D+02  0.183759D+01
      2  -0.151170D+01  0.481892D+00 -0.258648D+01  0.183759D+01  0.101443D+01
      3   0.790539D+00 -0.258648D+01  0.115720D+01 -0.128176D+01 -0.187893D+00
               201           202           203           204           205 
      1  -0.128176D+01  0.545364D+01  0.159689D+01 -0.498051D+00 -0.168409D+01
      2  -0.187893D+00  0.159689D+01  0.138027D+01 -0.288603D+00 -0.218196D+00
      3   0.124963D+01 -0.498051D+00 -0.288603D+00  0.345245D+00  0.169797D+01
               206           207           208           209           210 
      1  -0.218196D+00  0.169797D+01 -0.933551D+00  0.448232D-01 -0.733500D+00
      2  -0.284317D+00 -0.162311D+00  0.448232D-01 -0.598618D+00 -0.104874D+00
      3  -0.162311D+00 -0.425113D+00 -0.733500D+00 -0.104874D+00 -0.546957D+00
               211           212           213           214           215 
      1  -0.182685D+01  0.197489D+01  0.124257D+01 -0.351399D+01  0.156541D+01
      2   0.197489D+01 -0.366809D+01 -0.253940D+01  0.156541D+01 -0.267601D+01
      3   0.124257D+01 -0.253940D+01 -0.298210D+01  0.226904D+01 -0.303169D+01
               216           217           218           219           220 
      1   0.226904D+01  0.746684D+00 -0.167703D+00  0.123678D+01 -0.145549D+01
      2  -0.303169D+01 -0.167703D+00 -0.164133D+00 -0.420044D+00  0.183799D+01
      3  -0.431753D+01  0.123678D+01 -0.420044D+00  0.926118D-01 -0.131904D+01
               221           222           223           224           225 
      1   0.183799D+01 -0.131904D+01  0.487519D+01 -0.199000D+01  0.283485D+01
      2  -0.240190D+01  0.169327D+01 -0.199000D+01  0.218299D+01 -0.263004D+01
      3   0.169327D+01 -0.246610D+01  0.283485D+01 -0.263004D+01  0.510561D+01
               226           227           228           229           230 
      1   0.513931D-01  0.421718D+00  0.100276D+01  0.150114D+01  0.373839D+00
      2   0.421718D+00  0.582737D+00  0.378410D+00  0.373839D+00  0.105434D+01
      3   0.100276D+01  0.378410D+00  0.235752D+01 -0.355570D+00  0.147838D+01
               231           232           233           234           235 
      1  -0.355570D+00  0.127172D+01  0.181243D+00  0.204315D+00  0.553873D+00
      2   0.147838D+01  0.181243D+00  0.128794D+01  0.168163D+01 -0.576625D+00
      3   0.354644D+01  0.204315D+00  0.168163D+01  0.754054D+01 -0.242725D+00
               236           237           238           239           240 
      1  -0.576625D+00 -0.242725D+00 -0.215805D+01  0.126728D-02  0.409998D+00
      2   0.117449D+01 -0.344231D+00  0.126728D-02 -0.509917D+01  0.111618D+01
      3  -0.344231D+00  0.113462D+01  0.409998D+00  0.111618D+01 -0.143726D+01
               241           242           243           244           245 
      1  -0.750894D+00 -0.243200D+00  0.618492D+00 -0.148327D+02 -0.181892D+01
      2  -0.243200D+00  0.333512D+00 -0.363275D+00 -0.181892D+01 -0.105206D+01
      3   0.618492D+00 -0.363275D+00  0.105699D+00  0.379933D+01  0.563946D+00
               246           247           248           249           250 
      1   0.379933D+01 -0.165149D+01 -0.129648D+01  0.252983D+00  0.124953D+01
      2   0.563946D+00 -0.129648D+01 -0.560979D+00  0.446373D+00  0.170414D+00
      3  -0.239476D+01  0.252983D+00  0.446373D+00  0.241091D+00 -0.147902D+01
               251           252           253           254           255 
      1   0.170414D+00 -0.147902D+01 -0.921661D+01  0.261353D+01 -0.440096D+01
      2  -0.151713D-01  0.671267D-01  0.261353D+01 -0.142375D+01  0.846162D+00
      3   0.671267D-01  0.955357D+00 -0.440096D+01  0.846162D+00 -0.297932D+01
               256           257           258           259           260 
      1   0.728596D+01 -0.197511D+01  0.262686D+01 -0.995633D+01  0.119685D+01
      2  -0.197511D+01  0.389917D+01 -0.232735D+01  0.119685D+01 -0.214665D+01
      3   0.262686D+01 -0.232735D+01  0.369265D+01 -0.586033D+01  0.266732D+01
               261           262           263           264           265 
      1  -0.586033D+01  0.896408D+00 -0.779283D+00  0.735937D+00 -0.473494D+01
      2   0.266732D+01 -0.779283D+00  0.935323D+00  0.109745D+01 -0.594628D+00
      3  -0.773412D+01  0.735937D+00  0.109745D+01  0.165080D+01  0.104518D+01
               266           267           268           269           270 
      1  -0.594628D+00  0.104518D+01  0.136957D+01  0.197949D+01  0.243704D+01
      2  -0.360603D+01  0.823542D+00  0.197949D+01  0.263992D+01  0.166308D+01
      3   0.823542D+00  0.111485D+01  0.243704D+01  0.166308D+01  0.443228D+01
               271           272           273           274           275 
      1  -0.145231D+01 -0.152371D+01 -0.142790D+01 -0.896033D+00 -0.123444D+01
      2  -0.152371D+01 -0.139539D+01 -0.108553D+01 -0.123444D+01 -0.268246D+01
      3  -0.142790D+01 -0.108553D+01 -0.150639D+01 -0.892039D+00 -0.148459D+01
               276           277           278           279 
      1  -0.892039D+00 -0.239557D+01 -0.206597D+01 -0.283033D+01
      2  -0.148459D+01 -0.206597D+01 -0.325299D+01 -0.324108D+01
      3  -0.173815D+01 -0.283033D+01 -0.324108D+01 -0.519965D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.547188D+00  0.507166D+01 -0.211698D+01  0.408834D+01 -0.136387D+01
      2  -0.111459D+02  0.433590D+01 -0.897682D+00  0.595910D+01 -0.316624D+01
      3   0.108052D+02  0.162842D+02 -0.161579D+01  0.365561D+02 -0.134413D+01
                 6             7             8             9            10 
      1   0.254396D+01 -0.105164D+01  0.144311D+02 -0.129986D+01 -0.357423D-01
      2  -0.720770D+00  0.271879D+01  0.195850D+01 -0.179781D+01 -0.209093D+01
      3  -0.251787D+01 -0.414361D+01 -0.273642D+01  0.513181D+01 -0.205877D+02
                11            12            13            14            15 
      1   0.357566D+01  0.399664D+01 -0.335770D-01  0.140181D+00 -0.184327D+01
      2   0.868390D+00  0.656369D+01  0.161934D+01 -0.236354D+01 -0.260108D+01
      3   0.354558D+01 -0.722025D-01 -0.201318D+02 -0.103347D+02  0.288050D+01
                16            17            18            19            20 
      1   0.123589D+02  0.544234D+01 -0.266414D+01 -0.260653D+01 -0.430005D+01
      2  -0.454542D+01 -0.114812D+02  0.147594D+00  0.823670D+01 -0.592477D+01
      3   0.335983D+01  0.108129D+01 -0.291262D+00 -0.393608D+02 -0.276763D+02
                21            22            23            24            25 
      1   0.109699D+01 -0.103817D+01  0.247140D+01 -0.281333D+01 -0.725575D+01
      2   0.274748D+01 -0.670088D+01  0.532936D+01  0.293790D+01 -0.170124D+02
      3   0.489514D+01  0.984031D+01  0.805173D+01 -0.275141D+01  0.426291D+01
                26            27            28            29            30 
      1   0.253675D+01  0.689346D+00  0.120134D+01  0.505795D+01 -0.100939D+01
      2   0.189486D+02 -0.186460D+01 -0.138211D+02  0.879971D+01 -0.320487D+01
      3  -0.130853D+01 -0.103653D+02  0.325928D+02  0.395866D+02 -0.644409D+01
                31            32            33            34            35 
      1   0.436631D+01 -0.495257D-01  0.345549D+00 -0.493859D+01  0.718511D+01
      2  -0.683281D+01 -0.179205D+01  0.129972D+01 -0.180318D+02  0.112515D+01
      3   0.699675D+02 -0.321209D+02 -0.245223D+01 -0.788255D+01 -0.157339D+01
                36            37            38            39            40 
      1   0.460791D-01 -0.157791D+00  0.341017D+01 -0.556478D+00  0.336540D+01
      2   0.133507D+01  0.125470D+02  0.241727D+01 -0.325607D+00  0.116459D+02
      3   0.635933D+00 -0.164694D+02  0.462487D+02 -0.494307D+01  0.212522D+02
                41            42            43            44            45 
      1  -0.367572D+01 -0.391704D+00 -0.409713D+01  0.859145D+01 -0.692677D+00
      2  -0.520040D+01 -0.349181D+00 -0.214000D+02  0.213348D+01  0.150119D+01
      3  -0.294558D+02  0.154023D+01  0.243564D+01 -0.289505D+01  0.989309D+00
                46            47            48            49            50 
      1   0.191026D+01 -0.532125D+01 -0.334442D+01 -0.999249D+00  0.219208D+01
      2   0.203854D+00 -0.454382D+01 -0.416152D+01 -0.149728D+01  0.206795D+01
      3   0.365690D+02 -0.353076D+02  0.322060D+01 -0.733613D+01  0.339657D+02
                51            52            53            54            55 
      1  -0.184465D+01 -0.789162D+01 -0.317550D+01  0.174941D+01  0.172388D+01
      2  -0.216974D+01 -0.226826D+02 -0.337626D+01  0.411861D+01  0.309126D+01
      3  -0.185532D+01  0.169632D+01  0.223675D+01  0.112531D+02  0.345705D+02
                56            57            58            59            60 
      1  -0.159536D+01 -0.363994D+01 -0.275053D+01  0.182114D+01 -0.278274D+01
      2  -0.600392D+01  0.831784D+00 -0.325019D+01  0.417671D+01 -0.451760D+00
      3  -0.350854D+02  0.185708D+01 -0.723148D+01  0.264630D+02 -0.148102D+01
                61            62            63            64            65 
      1  -0.919513D+01 -0.561746D+01  0.374679D+01 -0.152064D-01 -0.208685D+01
      2  -0.175920D+02  0.582758D+00  0.150396D+01 -0.340889D+01  0.167907D+01
      3   0.108023D+00  0.168120D+01  0.533806D+01 -0.183531D+02  0.661527D+01
                66            67            68            69            70 
      1   0.479887D+01  0.313270D+01 -0.195946D+01 -0.820510D+00  0.155492D+02
      2   0.259010D+01 -0.696055D+01 -0.297929D+00 -0.195122D+01 -0.437069D+01
      3  -0.154393D+01  0.906172D+01 -0.598090D+00 -0.163980D+01 -0.283340D+01
                71            72            73            74            75 
      1   0.580578D+01 -0.265328D+01 -0.604557D+01  0.191726D+01 -0.337427D+00
      2  -0.890283D+01  0.226178D+01  0.157991D+02 -0.158908D+01 -0.897496D+00
      3  -0.807791D+00 -0.694212D+01 -0.407214D+02  0.128651D+02  0.539163D+00
                76            77            78            79            80 
      1   0.155181D+01  0.519043D+01 -0.262487D+00  0.241450D+01  0.137592D+02
      2   0.535176D+00 -0.494680D+00  0.199005D+01 -0.828454D+01  0.234387D+01
      3   0.334426D+02 -0.115030D+02  0.116882D+01 -0.220388D+01 -0.157904D+01
                81            82            83            84            85 
      1  -0.254272D+01 -0.273622D+00 -0.112444D+01  0.928112D+00 -0.160483D+01
      2   0.169497D+01 -0.185410D+02  0.516868D+00  0.248911D+00  0.806465D+01
      3  -0.445697D+01  0.162870D+02 -0.414519D+02  0.502907D+01 -0.118230D+02
                86            87            88            89            90 
      1  -0.986055D+00 -0.774040D+00 -0.486825D+01  0.345422D+01 -0.787016D+00
      2   0.794712D+00  0.165738D+01 -0.187832D+02  0.977593D+01 -0.457085D+00
      3   0.604215D+01 -0.922189D+00  0.879400D+00  0.229504D+01 -0.239150D+01
                91            92            93            94            95 
      1   0.329273D+01  0.194774D+01  0.589695D+00  0.510818D+01 -0.144145D+01
      2  -0.379244D+01  0.938415D+00 -0.922660D+00 -0.435191D+01 -0.436843D+00
      3   0.100158D+02  0.160623D+01  0.414863D+00  0.278777D+02 -0.157532D+02
                96            97            98            99           100 
      1  -0.500960D+01  0.367461D+01  0.201542D+01  0.145810D+01  0.101057D+01
      2  -0.907004D+01 -0.363423D+02 -0.798265D+01 -0.183111D+01  0.442523D+01
      3  -0.223772D+01  0.904186D+01 -0.104009D+01  0.152633D+02 -0.376154D+01
               101           102           103           104           105 
      1  -0.482800D+01  0.264629D+01  0.761323D-01 -0.119137D+01 -0.466712D+01
      2  -0.352714D+01  0.136289D+02 -0.114827D+01 -0.172779D+01 -0.462143D+01
      3  -0.393839D+02  0.216937D+01 -0.265846D+01 -0.830585D+01  0.151213D+01
               106           107           108           109           110 
      1   0.141160D+01 -0.139009D+01  0.124106D+00  0.149322D+01  0.170805D+01
      2  -0.576116D+01  0.286692D+01 -0.971508D+00  0.165551D+01  0.448479D+01
      3   0.550030D+00  0.443800D+01 -0.362075D+01  0.357327D+02  0.495423D+01
               111           112           113           114           115 
      1  -0.118393D+01  0.120211D+01 -0.680862D+00  0.567856D+01 -0.106424D+02
      2  -0.108670D+01  0.562338D+01  0.445900D+01  0.352490D+02 -0.161266D+02
      3  -0.673404D+01  0.198415D+02 -0.253065D+02 -0.636331D+01 -0.618257D+01
               116           117           118           119           120 
      1   0.827893D+01 -0.223093D+01 -0.140334D+01  0.462603D+00  0.169916D+01
      2   0.279974D+02 -0.696679D+01 -0.225501D+01  0.572310D+00  0.162130D+01
      3  -0.479940D+01 -0.280627D+02 -0.532546D+01 -0.453540D+01  0.776013D+00
               121           122           123           124           125 
      1  -0.346224D-01 -0.215506D+00 -0.277541D+01 -0.246053D+01  0.108242D+01
      2   0.499742D-01 -0.259641D+00 -0.302522D+01 -0.250431D+01  0.108666D+00
      3  -0.559873D+01  0.128467D+02 -0.100984D+00  0.185055D+01 -0.798033D+00
               126           127           128           129           130 
      1   0.343974D+00  0.126963D+00  0.206233D+00 -0.144168D+01  0.283917D+00
      2   0.625212D+00 -0.859770D+00 -0.100925D+01  0.178847D+01 -0.968183D+00
      3   0.102422D+01 -0.406046D+01 -0.368633D+01  0.740814D+00 -0.228211D+01
               131           132           133           134           135 
      1  -0.175140D+00 -0.372756D+01 -0.492517D-01  0.177206D+01  0.420891D+00
      2  -0.261641D+01  0.374692D+01 -0.139281D+01 -0.916213D-01 -0.373526D+00
      3  -0.184534D+02  0.206004D+01  0.907724D+00  0.223715D+01  0.240356D+00
               136           137           138           139           140 
      1   0.340578D+00  0.108995D+00 -0.149256D+01 -0.334055D-01 -0.506203D+00
      2   0.948949D+00  0.928761D+00  0.423899D-01  0.633874D+00  0.186205D+01
      3   0.782189D+01  0.564673D+01 -0.124337D+01  0.617200D+01  0.184295D+02
               141           142           143           144           145 
      1  -0.425932D+01  0.817111D+00  0.276206D+01  0.158951D+00  0.999019D+00
      2  -0.520655D+00 -0.556573D-01 -0.218826D-01 -0.158958D+00  0.426771D+00
      3  -0.216556D+01 -0.164286D+01 -0.283560D+01 -0.351747D+00  0.556629D+01
               146           147           148           149           150 
      1   0.103156D+01 -0.181210D+01  0.702118D+00  0.271802D+01 -0.525043D+01
      2  -0.395660D-02  0.838814D+00  0.294018D+00 -0.133942D+00  0.122876D+01
      3   0.296324D+01 -0.864345D+00  0.537765D+01  0.384524D+01 -0.626795D+00
               151           152           153           154           155 
      1   0.144269D+01  0.205187D+01  0.310900D+00  0.900457D-01 -0.463715D+00
      2  -0.938274D+00  0.880352D+00 -0.543875D+00 -0.293116D-01 -0.208753D+00
      3  -0.834085D+00 -0.114139D+01 -0.839835D+00 -0.100080D+02  0.128208D+01
               156           157           158           159           160 
      1   0.255037D+01 -0.168548D+01  0.150873D+01 -0.347569D+01 -0.274659D+01
      2   0.182395D+01 -0.774056D+00  0.499639D+00 -0.258958D+01 -0.211030D+01
      3   0.445956D+00  0.372478D+01  0.760695D+00  0.286327D+00  0.138486D+01
               161           162           163           164           165 
      1   0.849862D+00  0.608728D+00  0.950858D+00  0.566561D+00 -0.114464D+01
      2  -0.656225D-01  0.275284D+00 -0.385505D+00  0.702343D-01 -0.835032D-01
      3   0.208603D+00  0.113034D+01 -0.230481D+00  0.167220D+00 -0.908829D+00
               166           167           168           169           170 
      1  -0.358108D+00 -0.190348D+01 -0.316614D+01 -0.755325D+00  0.237299D+01
      2   0.942284D+00 -0.172241D+00  0.145249D+01 -0.183285D+01 -0.131964D+01
      3   0.425167D+01 -0.475023D+01  0.178601D+00 -0.278876D+01  0.142101D+00
               171           172           173           174           175 
      1   0.552001D+00  0.114077D+01 -0.813216D+00  0.884072D+00 -0.403542D+00
      2   0.447498D+00 -0.965591D-04 -0.500310D+00  0.380365D+01 -0.324050D-01
      3   0.536599D+00  0.815113D+01 -0.662861D+01 -0.855300D+00 -0.230542D+01
               176           177           178           179           180 
      1   0.292200D+01 -0.228816D+01  0.192078D+00  0.134911D+01  0.281662D+00
      2   0.290647D+00 -0.367552D+01  0.263383D+01 -0.138831D+01 -0.713375D+00
      3   0.180827D+02  0.595110D+00 -0.159493D+01  0.122349D+01  0.103998D+01
               181           182           183           184           185 
      1   0.223392D+01 -0.548979D+01 -0.182926D+01 -0.341168D+01  0.687690D+01
      2  -0.128091D+02 -0.205426D+01  0.167753D+02 -0.402019D+01  0.537761D+01
      3  -0.158907D+01 -0.122940D+02  0.192431D+01 -0.115701D+02  0.143613D+02
               186           187           188           189           190 
      1  -0.499203D+01  0.821573D+00 -0.197552D+00 -0.908999D+01 -0.115490D+00
      2   0.165791D+02  0.128398D+02  0.108348D+02  0.886925D+01  0.840433D+01
      3   0.118711D+01  0.653827D+01 -0.614426D-01 -0.127413D+02 -0.755100D+01
               191           192           193           194           195 
      1  -0.704610D+01 -0.353672D+01 -0.813814D+01  0.174714D+01 -0.995972D+00
      2   0.481634D+01  0.350995D+01  0.175963D+02 -0.437414D-01  0.164247D+02
      3  -0.624150D+01 -0.591997D+01 -0.440863D+01  0.159797D+00  0.425543D+01
               196           197           198           199           200 
      1   0.102445D+01 -0.115484D+01  0.633154D+00 -0.149021D+01 -0.826513D+00
      2  -0.577582D+01  0.892567D+01 -0.144104D+02 -0.396728D+01 -0.788570D+00
      3  -0.535602D+01  0.173329D+02 -0.113168D+02 -0.209626D+02 -0.110623D+02
               201           202           203           204           205 
      1   0.455512D+00 -0.757408D+00 -0.699987D+00 -0.651702D+00  0.155967D+01
      2   0.936735D+01 -0.162780D+01 -0.127212D+01  0.243135D+01  0.811146D+01
      3   0.226298D+01 -0.119459D+02 -0.960299D+01  0.206853D+01  0.254429D+01
               206           207           208           209           210 
      1   0.317655D+00 -0.872744D-01  0.440913D+00  0.897982D-01 -0.114534D+01
      2  -0.982490D+00 -0.223354D+01 -0.566737D+01 -0.874660D+00 -0.260388D+01
      3   0.229485D+01  0.331573D+00  0.203693D+01  0.274297D+01  0.150806D+01
               211           212           213           214           215 
      1   0.491365D+00  0.226873D+00 -0.341130D+01  0.197623D+01  0.257372D+00
      2   0.450676D+01 -0.131893D+02 -0.170179D+02  0.863637D+01 -0.172004D+02
      3  -0.862240D+01  0.255933D+02  0.146747D+02 -0.585293D+01  0.172922D+02
               216           217           218           219           220 
      1  -0.417270D+01  0.337367D+00 -0.233245D+00 -0.599377D-01 -0.148437D+01
      2  -0.236236D+02  0.811234D+01 -0.254167D+01  0.126277D+01 -0.659976D+01
      3   0.180517D+02  0.119693D+01 -0.369239D+00  0.167487D+01 -0.898366D+01
               221           222           223           224           225 
      1   0.182612D+01 -0.393802D+01  0.388359D+01 -0.966704D+00  0.668996D+01
      2   0.986054D+01 -0.149965D+02  0.130680D+02 -0.161197D+02  0.302544D+02
      3   0.177266D+02 -0.100801D+02  0.792221D+01 -0.148359D+02  0.159416D+02
               226           227           228           229           230 
      1   0.130600D+01  0.262318D+01  0.117361D+01  0.177019D+01  0.371455D+01
      2  -0.557969D+01 -0.215300D+01 -0.939381D+01 -0.229318D+01 -0.607089D+01
      3   0.144671D+01  0.208723D+01  0.113942D+00  0.309801D+01  0.333567D+01
               231           232           233           234           235 
      1   0.294812D+01  0.672537D+00  0.578401D+01  0.656194D+01 -0.291656D+01
      2  -0.121454D+02 -0.567498D+01 -0.701582D+01 -0.274746D+02 -0.159452D+01
      3   0.403598D+01 -0.766199D-01  0.386939D+01  0.429776D+01 -0.690449D+01
               236           237           238           239           240 
      1   0.293275D+01  0.114340D+01  0.137719D+01 -0.113002D+02 -0.140492D+01
      2   0.262316D+01 -0.285322D+01  0.263690D+01 -0.573809D+01  0.419657D+01
      3   0.571900D+01 -0.659699D+00  0.479625D+01 -0.210745D+02  0.376090D+01
               241           242           243           244           245 
      1   0.486791D+00  0.879736D+00 -0.151992D+01 -0.182723D+01 -0.280488D+01
      2  -0.172884D+01  0.131408D+01 -0.147856D+01  0.112110D+02  0.371918D+00
      3   0.860685D+00  0.811219D+00 -0.229649D+01 -0.190700D+01 -0.713464D+01
               246           247           248           249           250 
      1  -0.372813D+00 -0.216207D+01 -0.158405D+01 -0.511107D-01 -0.395937D+00
      2   0.632656D+01  0.158148D+01 -0.161918D-01 -0.108524D+01  0.202138D+01
      3   0.158819D+01 -0.330159D+01 -0.329599D+01  0.133639D+01 -0.918651D+00
               251           252           253           254           255 
      1   0.877529D+00  0.779382D+00 -0.401127D+01  0.531703D+01  0.243155D+01
      2  -0.620324D+00 -0.148980D+01  0.824617D+01 -0.229974D+01  0.117078D+02
      3   0.112036D+01  0.767819D+00  0.850067D+01 -0.100432D+02  0.398810D+01
               256           257           258           259           260 
      1   0.435252D+01 -0.619621D+01 -0.134802D+01 -0.121845D+01  0.926133D+01
      2  -0.138497D+02  0.730877D+01 -0.142103D+02  0.185219D+02 -0.947138D+01
      3  -0.124712D+01  0.185057D+02 -0.919507D+01 -0.419583D+01 -0.178085D+02
               261           262           263           264           265 
      1  -0.595695D+00  0.336407D+01  0.789593D+00  0.214950D+01 -0.201665D+01
      2   0.332210D+02 -0.493051D+01 -0.548481D+01 -0.389506D+01 -0.280434D+01
      3   0.872184D+01 -0.351931D+00  0.318656D+01  0.392525D+01  0.161803D+01
               266           267           268           269           270 
      1   0.382057D+01 -0.593813D+01  0.148481D+01  0.155429D+01  0.656160D+01
      2  -0.202811D+01 -0.376931D+01 -0.813752D+01 -0.514520D+01 -0.144222D+02
      3  -0.173938D+02  0.333738D+01  0.725805D+01  0.735345D+01  0.375682D+01
               271           272           273           274           275 
      1  -0.516753D+00  0.116627D+00 -0.152015D+01 -0.949082D+00 -0.678192D+00
      2   0.356289D+01  0.351576D+01  0.474745D+01  0.202242D+01  0.499322D+01
      3  -0.348325D+01 -0.434550D+01 -0.270260D+01 -0.224024D+01 -0.854483D+01
               276           277           278           279 
      1  -0.253337D+01 -0.186961D+01 -0.425663D+00 -0.594729D+01
      2   0.577687D+01  0.734127D+01  0.110573D+02  0.185623D+02
      3  -0.449568D+01 -0.509394D+01 -0.113974D+02 -0.107753D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.135799D+03 -0.375668D+02 -0.596929D+01  0.113964D+02 -0.313991D+02
      2  -0.746028D+02  0.239199D+02  0.156506D+01 -0.137068D+02  0.313322D+02
      3  -0.611961D+02  0.136469D+02  0.440422D+01  0.231043D+01  0.668497D-01
      4  -0.170043D+02  0.297705D+02 -0.187742D+01 -0.302337D+02 -0.641794D+02
      5  -0.962301D+00 -0.129519D+01  0.293815D+00  0.734085D+01  0.609806D+01
      6  -0.255368D+00  0.105304D+01  0.324942D+01  0.587336D+01 -0.338920D+01
                 6             7             8             9            10 
      1   0.435523D+01 -0.323920D+01  0.789392D+01  0.266707D+02  0.121383D+01
      2  -0.467789D+01  0.383585D+01 -0.685004D+01 -0.241917D+02 -0.225113D+00
      3   0.322666D+00 -0.596650D+00 -0.104388D+01 -0.247904D+01 -0.988719D+00
      4   0.926943D+01  0.954948D+01  0.242723D+01 -0.350819D+01  0.332034D+02
      5  -0.180006D+01  0.503039D+02 -0.962354D+01 -0.358185D+01  0.369647D+01
      6  -0.288078D+01  0.252996D+00  0.294842D+01  0.159981D+01 -0.542051D+01
                11            12            13            14            15 
      1   0.596422D+02 -0.457180D+01 -0.800628D+02  0.360833D+02  0.241487D+01
      2  -0.408868D+02  0.142580D+01  0.543110D+02 -0.295046D+02 -0.139215D+01
      3  -0.187554D+02  0.314601D+01  0.257518D+02 -0.657864D+01 -0.102272D+01
      4   0.377596D+02 -0.823829D+01  0.339556D+02  0.299511D+02 -0.852000D+01
      5  -0.939064D+01  0.142864D+02  0.444192D+01 -0.679776D+01 -0.730701D+01
      6   0.356128D+01 -0.794451D+01 -0.607101D+01  0.279089D+01  0.452893D+01
                16            17            18            19            20 
      1   0.121546D+02 -0.121132D+02  0.206205D+01 -0.109574D+03  0.136839D+02
      2  -0.110723D+02  0.938198D+01 -0.728792D+01  0.502696D+02 -0.466213D+01
      3  -0.108229D+01  0.273122D+01  0.522587D+01  0.593044D+02 -0.902177D+01
      4  -0.737494D+01 -0.919271D+01 -0.165282D+02  0.167262D+02 -0.360063D+02
      5   0.281029D+02 -0.174327D+02  0.257847D+01  0.739556D+01  0.664039D+01
      6  -0.172532D+02  0.107195D+02  0.253537D+01  0.546941D+01  0.874323D+00
                21            22            23            24            25 
      1   0.637958D+01  0.880223D+02 -0.116026D+02 -0.736739D+01  0.150137D+01
      2  -0.316118D+01 -0.553592D+02 -0.476623D+01  0.602570D+01  0.150440D+01
      3  -0.321840D+01 -0.326631D+02  0.163688D+02  0.134169D+01 -0.300577D+01
      4   0.590101D+01 -0.892892D+01  0.252133D+02  0.183087D+01  0.308850D+01
      5   0.285767D+01 -0.405392D+01  0.300952D+01  0.768888D+01  0.445754D+01
      6  -0.501153D+00  0.149160D+01  0.550886D+01  0.403287D+01  0.411498D+01
                26            27            28            29            30 
      1   0.219622D+01 -0.172826D+02  0.895052D+02 -0.436443D+01 -0.823252D+01
      2   0.316948D+01  0.238989D+01 -0.390938D+02  0.253088D+00  0.292078D+01
      3  -0.536570D+01  0.148927D+02 -0.504114D+02  0.411134D+01  0.531174D+01
      4   0.864573D+01  0.258460D+02 -0.163951D+02  0.676623D+01  0.159750D+00
      5   0.270591D+02 -0.354146D+01 -0.577243D+01 -0.178630D+01 -0.555918D+01
      6   0.161879D+02 -0.170615D+01 -0.391737D+01  0.139576D+01  0.145596D+01
                31            32            33            34            35 
      1   0.921892D+02 -0.349430D+02 -0.545386D+01 -0.189786D+02  0.310771D+01
      2  -0.439637D+02  0.290026D+02  0.105385D+01  0.824487D+01 -0.271666D+01
      3  -0.482254D+02  0.594041D+01  0.440001D+01  0.107337D+02 -0.391047D+00
      4  -0.180705D+02  0.131416D+02 -0.220388D-01  0.336511D+01 -0.112555D+01
      5   0.412419D+01 -0.215850D+01  0.942584D+00  0.832902D+00  0.227773D+01
      6  -0.266497D+01  0.873751D+00 -0.838073D+00  0.357403D+01  0.310417D+01
                36            37            38            39            40 
      1  -0.602710D+01 -0.884086D+02  0.536095D+02  0.522598D+00 -0.873494D+02
      2  -0.270489D+01  0.482968D+02 -0.348927D+02 -0.129138D+01  0.469625D+02
      3   0.873199D+01  0.401119D+02 -0.187168D+02  0.768781D+00  0.403870D+02
      4   0.220509D+01  0.548767D+02 -0.376653D+01 -0.318319D+01 -0.802303D+01
      5   0.201585D+01 -0.340625D+00 -0.172401D+01  0.895073D+00 -0.123819D+01
      6   0.115798D+01 -0.168823D+01 -0.127240D+01  0.800309D+00  0.427299D+01
                41            42            43            44            45 
      1  -0.624566D+00  0.677999D+01  0.146434D+02 -0.674777D+01 -0.122753D+02
      2   0.363690D+01 -0.481152D+01 -0.752225D+01  0.343981D+01 -0.984368D+00
      3  -0.301234D+01 -0.196848D+01 -0.712116D+01  0.330795D+01  0.132597D+02
      4  -0.393877D+01  0.136323D+01 -0.460249D+01  0.115248D+01  0.944886D+00
      5   0.272943D+01 -0.862008D-01 -0.117863D+01 -0.140977D+01  0.176006D+01
      6  -0.307941D+01  0.408565D-01  0.188570D+01  0.176897D+01  0.540211D+00
                46            47            48            49            50 
      1  -0.373265D+00 -0.560764D+02  0.278259D+01  0.227056D+01  0.245224D+02
      2  -0.459296D+01  0.373237D+02 -0.666245D+00 -0.580423D+01 -0.231652D+02
      3   0.496623D+01  0.187527D+02 -0.211635D+01  0.353366D+01 -0.135724D+01
      4  -0.406696D+02 -0.314831D+02  0.543547D+01  0.323136D+02 -0.170965D+02
      5  -0.142276D+01  0.598285D+01 -0.987386D+01 -0.188281D+01 -0.449911D+00
      6   0.513674D+01  0.173906D+01  0.609731D+01  0.562140D-01  0.541472D+01
                51            52            53            54            55 
      1  -0.517210D+01 -0.246834D+01 -0.357143D+00 -0.219438D+02  0.166536D+02
      2   0.505665D+01  0.304624D+01  0.555727D+01  0.781983D+01 -0.126717D+02
      3   0.115457D+00 -0.577902D+00 -0.520013D+01  0.141239D+02 -0.398195D+01
      4  -0.146220D+01 -0.210348D+00  0.451828D+01 -0.105458D+02  0.567167D+01
      5  -0.211410D+01 -0.759379D-01 -0.127583D+02  0.640690D+01  0.722155D+01
      6   0.462064D+01  0.218771D+01  0.209467D+02 -0.430932D+01  0.171193D+01
                56            57            58            59            60 
      1  -0.516848D+02 -0.167462D+00  0.131179D+02  0.208997D+01 -0.373527D+01
      2   0.453940D+02 -0.135218D+00 -0.132143D+02 -0.112956D+02  0.467909D+01
      3   0.629078D+01  0.302680D+00  0.964146D-01  0.920562D+01 -0.943815D+00
      4  -0.670996D+01  0.852425D+00  0.271091D+01 -0.108823D+02  0.219945D+01
      5   0.380087D+01 -0.100256D+01 -0.210433D+01  0.188128D+01  0.141391D+01
      6   0.602539D+01  0.684505D+01  0.109044D+01  0.731543D+01  0.671130D+01
                61            62            63            64            65 
      1  -0.541808D+01  0.461482D+00 -0.243985D+02 -0.914155D+01  0.705025D+02
      2   0.566075D+01  0.325867D+01  0.148233D+02  0.260819D+01 -0.612083D+02
      3  -0.242671D+00 -0.372015D+01  0.957519D+01  0.653336D+01 -0.929411D+01
      4   0.972361D+00  0.562841D+01  0.701538D+01  0.665273D+01 -0.158441D+02
      5   0.407171D+01  0.134828D+01  0.201603D+01 -0.992789D+00 -0.484622D+01
      6   0.668811D+01  0.267776D+02 -0.399064D+01 -0.331976D+01 -0.311316D+00
                66            67            68            69            70 
      1  -0.488671D+01 -0.237754D+02  0.365703D+02 -0.592025D+01  0.105165D+02
      2   0.412649D+01  0.265942D+02 -0.403027D+02  0.318240D+01 -0.871926D+01
      3   0.760216D+00 -0.281877D+01  0.373237D+01  0.273785D+01 -0.179720D+01
      4   0.173051D+00  0.115113D+02  0.113501D+02 -0.324705D+01 -0.354437D+01
      5   0.646840D+01  0.139828D+01 -0.573001D+01 -0.569040D+01  0.247746D+02
      6  -0.827903D+01 -0.725982D+01  0.100405D+01  0.421643D+01 -0.210836D+02
                71            72            73            74            75 
      1  -0.159901D+02 -0.122983D+02 -0.512115D+00  0.677523D+01  0.129129D+01
      2   0.136952D+02  0.326955D+01 -0.120702D+02 -0.970661D+01  0.201738D+01
      3   0.229489D+01  0.902876D+01  0.125823D+02  0.293138D+01 -0.330866D+01
      4  -0.871619D+00 -0.116197D+02  0.195804D+02  0.960554D+01 -0.212909D+01
      5  -0.781774D+01 -0.102807D+00 -0.610861D+01 -0.147966D+01  0.245333D+01
      6   0.149204D+02  0.606046D+01  0.222485D+01 -0.282308D+01 -0.237327D+01
                76            77            78            79            80 
      1   0.307399D+02 -0.720327D+02  0.437799D+01  0.119928D+02  0.504296D+01
      2  -0.209264D+02  0.706321D+02 -0.587607D+01 -0.220657D+01 -0.679691D+01
      3  -0.981350D+01  0.140061D+01  0.149808D+01 -0.978626D+01  0.175395D+01
      4  -0.411973D+02 -0.163173D+01  0.190484D+01  0.630636D+01 -0.194924D+01
      5   0.577146D+01  0.390547D+01  0.280304D+01  0.298630D+02 -0.262303D+01
      6   0.432247D+01  0.300098D+01 -0.177662D+01 -0.713706D+01  0.409273D+01
                81            82            83            84            85 
      1  -0.279744D+01  0.572075D+02 -0.578228D+02 -0.191803D+00  0.796540D+01
      2  -0.855372D+01 -0.324807D+02  0.446873D+02 -0.223907D+01 -0.176301D+02
      3   0.113512D+02 -0.247268D+02  0.131355D+02  0.243087D+01  0.966468D+01
      4   0.401830D+01 -0.496212D+02  0.252061D+01  0.448674D+01  0.240310D+02
      5  -0.394676D+01  0.497346D+01  0.418966D+01 -0.338213D+01 -0.206909D+01
      6   0.281865D+01  0.275897D+01  0.340074D+01  0.394643D+00  0.145374D+01
                86            87            88            89            90 
      1   0.319327D+02 -0.113408D+01 -0.452777D+01  0.685325D+01 -0.878613D+01
      2  -0.356278D+02  0.449556D+01  0.187249D+01  0.626479D+00 -0.576149D+01
      3   0.369506D+01 -0.336149D+01  0.265528D+01 -0.747973D+01  0.145476D+02
      4  -0.445500D+01 -0.157902D+00  0.660011D+01  0.206959D+01  0.389390D+01
      5   0.366219D+00  0.540171D+01  0.321574D+01  0.100604D+02 -0.584742D+00
      6   0.930681D+00  0.267805D+01  0.276482D+01  0.758251D+01 -0.258694D+01
                91            92            93            94            95 
      1   0.181516D+02  0.892837D+01 -0.400246D+01 -0.524325D+00 -0.121598D+02
      2  -0.120719D+02 -0.308362D+01 -0.504862D+01  0.106704D+02  0.191676D+01
      3  -0.607970D+01 -0.584475D+01  0.905108D+01 -0.101461D+02  0.102431D+02
      4  -0.289265D+01 -0.158448D+02 -0.228315D+01 -0.293905D+02  0.312157D+02
      5   0.472677D+01 -0.228939D+01 -0.110950D+02  0.440869D+01  0.523083D+01
      6  -0.408876D+01  0.344932D+01 -0.311799D+01  0.481229D+01 -0.508156D+01
                96            97            98            99           100 
      1  -0.463738D+01 -0.155714D+02 -0.371201D+01 -0.121431D+02  0.217248D+01
      2  -0.584491D+01  0.386430D+01  0.103531D+00  0.856638D+01 -0.426166D+01
      3   0.104823D+02  0.117071D+02  0.360848D+01  0.357673D+01  0.208918D+01
      4   0.411724D+01 -0.416429D+01  0.845485D+00 -0.234731D+02  0.276893D+02
      5  -0.224615D+02 -0.507118D+02 -0.182105D+02  0.950169D+01 -0.121219D+01
      6  -0.365038D+01 -0.922043D+01 -0.400780D+01  0.317918D+01  0.152186D-01
               101           102           103           104           105 
      1   0.335137D+02  0.151036D+01  0.903439D+01  0.103527D+02 -0.350527D+01
      2  -0.203580D+02  0.113904D+01 -0.168259D+01 -0.403024D+01  0.247986D+01
      3  -0.131557D+02 -0.264940D+01 -0.735179D+01 -0.632241D+01  0.102541D+01
      4   0.526059D+01  0.178231D+00  0.333737D+02  0.156201D+02 -0.376055D+01
      5   0.147660D+00  0.266669D+02 -0.502731D+01 -0.220340D+01 -0.804513D+01
      6  -0.176069D+01 -0.454190D+01 -0.150362D+01 -0.576300D-03  0.818855D+01
               106           107           108           109           110 
      1   0.317811D+00 -0.339336D+01  0.583442D+00 -0.658577D+02 -0.454242D+02
      2   0.127280D+01  0.287700D+01 -0.106653D+01  0.401539D+02  0.235753D+02
      3  -0.159061D+01  0.516357D+00  0.483084D+00  0.257038D+02  0.218489D+02
      4  -0.415964D+01 -0.468854D+00  0.707011D+01 -0.435610D+02  0.949157D+01
      5   0.960341D+01  0.565707D+01 -0.392697D+01  0.101968D+02  0.869550D+01
      6   0.273389D+01  0.391666D+01 -0.123288D+01  0.230289D+01 -0.168338D+01
               111           112           113           114           115 
      1   0.105154D+02 -0.548568D+02  0.449538D+01  0.176256D+02  0.989239D+01
      2  -0.639362D+01  0.271666D+02 -0.304905D+01 -0.855719D+01 -0.492896D+01
      3  -0.412180D+01  0.276902D+02 -0.144634D+01 -0.906842D+01 -0.496343D+01
      4   0.775909D+01 -0.194306D+02  0.234277D+02  0.922195D+01  0.101709D+02
      5  -0.761607D+01  0.135350D+02  0.884164D+01  0.680723D+02 -0.246444D+02
      6   0.149349D+01  0.588262D+00 -0.474861D+01 -0.192129D+02  0.110028D+02
               116           117           118           119           120 
      1   0.136903D+02  0.380008D+00  0.402301D+02 -0.126351D+02 -0.217708D+01
      2  -0.718703D+01 -0.290072D+01 -0.149159D+02 -0.733700D+00  0.119281D+01
      3  -0.650331D+01  0.252071D+01 -0.253142D+02  0.133688D+02  0.984271D+00
      4   0.542717D+01  0.468572D+02 -0.310730D+02  0.258823D+02  0.232411D+00
      5   0.498474D+02 -0.145994D+02 -0.725468D+00 -0.978767D+00  0.325301D+01
      6  -0.154604D+02 -0.475099D-01  0.521753D+00  0.124623D+00 -0.186129D+01
               121           122           123           124           125 
      1  -0.144000D+02  0.636926D+01 -0.312843D+00 -0.348189D+01  0.317626D+00
      2  -0.518902D+01  0.143956D+02  0.252003D+00  0.278287D+01 -0.955753D+00
      3   0.195890D+02 -0.207648D+02  0.608398D-01  0.699022D+00  0.638128D+00
      4   0.385829D+02 -0.435245D+02  0.672320D+00 -0.884916D+00  0.162364D+01
      5  -0.289781D+01  0.279028D+01 -0.513535D+01 -0.173509D+01 -0.943864D+00
      6   0.138023D+01 -0.124838D+01  0.449111D+01  0.109690D+01  0.137154D+01
               126           127           128           129           130 
      1  -0.139840D+01  0.353424D+01  0.765883D+01 -0.617280D+00  0.543535D+01
      2   0.123791D+01  0.358656D+01  0.170610D+01 -0.638034D-02  0.741999D+01
      3   0.160498D+00 -0.712080D+01 -0.936493D+01  0.623660D+00 -0.128553D+02
      4  -0.150513D+01  0.227792D+02  0.227739D+02 -0.364506D+01  0.303453D+02
      5   0.595877D+00 -0.212363D+01 -0.260554D+01  0.371760D+01 -0.285605D+01
      6  -0.509003D+00 -0.160291D+01 -0.195299D+01  0.228689D+01 -0.247517D+01
               131           132           133           134           135 
      1  -0.110965D+02  0.141424D+01 -0.672939D+00  0.366009D+00 -0.906714D+00
      2   0.281998D+02 -0.225846D+01 -0.484413D+00 -0.249115D+01  0.220058D+01
      3  -0.171032D+02  0.844216D+00  0.115735D+01  0.212515D+01 -0.129386D+01
      4   0.531042D+02 -0.656134D+01 -0.485404D+01 -0.750778D+01  0.250952D+01
      5  -0.413437D+01  0.667681D+01  0.270716D+01  0.861498D+00 -0.135127D+01
      6  -0.540192D+01  0.680600D+01  0.284434D+01  0.286751D+01 -0.181670D+01
               136           137           138           139           140 
      1  -0.680430D+01 -0.149845D+02  0.244308D+01 -0.714697D+01 -0.457736D+02
      2   0.707825D+01  0.145775D+02 -0.167379D+01  0.705192D+01  0.552013D+02
      3  -0.273953D+00  0.406982D+00 -0.769292D+00  0.950524D-01 -0.942771D+01
      4  -0.406383D+00  0.481280D+01 -0.610567D-01  0.276197D+01 -0.130883D+02
      5   0.473303D+00  0.392871D+00  0.792883D+00  0.840417D-01  0.377410D+01
      6  -0.133685D+01 -0.278756D+01  0.218846D+01 -0.956068D+00 -0.892900D+01
               141           142           143           144           145 
      1   0.543611D+01  0.150217D+01  0.644942D+01 -0.193482D+01 -0.561831D+01
      2  -0.482283D+01 -0.124506D+01 -0.673229D+01  0.214140D+01  0.921362D+01
      3  -0.613282D+00 -0.257103D+00  0.282875D+00 -0.206576D+00 -0.359531D+01
      4   0.180562D+01  0.368838D-01  0.133497D+01  0.153146D+01  0.757627D+01
      5  -0.211939D+01  0.139312D+01  0.469019D+00 -0.276350D+00  0.153253D+00
      6   0.757986D+01  0.772707D-01  0.317573D+01 -0.160376D+01 -0.996122D+00
               146           147           148           149           150 
      1  -0.104746D+02  0.183962D+01 -0.743337D+01 -0.513984D+02  0.544012D+01
      2   0.161011D+02 -0.191769D+01  0.106690D+02  0.731135D+02 -0.638315D+01
      3  -0.562644D+01  0.780723D-01 -0.323567D+01 -0.217151D+02  0.943026D+00
      4   0.156888D+02 -0.155275D+01  0.945390D+01  0.207596D+02 -0.173725D+01
      5  -0.103813D+00  0.209203D+01 -0.248415D+00  0.106893D+01  0.124078D+01
      6  -0.201881D+01  0.265247D+01 -0.864578D+00 -0.567783D+01  0.859360D+01
               151           152           153           154           155 
      1   0.949639D+00  0.697397D+01 -0.198424D+01  0.266008D+01  0.506087D+01
      2  -0.161812D+01 -0.894104D+01  0.250521D+01  0.961475D+01 -0.154671D+02
      3   0.668481D+00  0.196708D+01 -0.520967D+00 -0.122748D+02  0.104062D+02
      4  -0.120220D+01 -0.342458D+01  0.179485D+01 -0.279978D+02  0.244214D+02
      5  -0.795032D-01  0.174272D+01 -0.879897D+00 -0.153921D+01  0.358200D+00
      6  -0.681581D+00  0.351627D+01 -0.174671D+01  0.242708D+01 -0.205563D+01
               156           157           158           159           160 
      1   0.804564D-01  0.935952D+01 -0.195768D+02 -0.107798D+00 -0.165896D+01
      2   0.707111D-01 -0.220882D+02  0.362974D+02  0.736584D-01  0.182950D+01
      3  -0.151167D+00  0.127287D+02 -0.167207D+02  0.341398D-01 -0.170541D+00
      4   0.562373D+00  0.279805D+02 -0.340311D+02  0.205157D+00 -0.231906D+00
      5   0.348091D+01 -0.545232D+00  0.253579D+00 -0.365893D+01 -0.627702D-01
      6  -0.339975D+01 -0.945648D+00  0.227680D+01  0.574147D+01  0.180960D+01
               161           162           163           164           165 
      1   0.133797D+01 -0.149599D+00 -0.254378D-01 -0.127290D+01 -0.189787D+01
      2  -0.193313D+01  0.126186D+01  0.394400D+00  0.148803D+01  0.194054D+01
      3   0.595160D+00 -0.111226D+01 -0.368963D+00 -0.215130D+00 -0.426643D-01
      4   0.101979D+01 -0.181727D+01  0.315067D+01  0.639216D+01 -0.240945D+01
      5  -0.181440D+01  0.422822D+00 -0.644460D+01 -0.303866D+01  0.225495D+01
      6   0.239846D+01 -0.658292D+00 -0.301074D+01 -0.187526D+01  0.799477D+00
               166           167           168           169           170 
      1  -0.376903D+01 -0.163512D+02  0.232143D+01 -0.203027D+01  0.258812D+00
      2   0.538517D+01  0.192939D+02 -0.952318D+00  0.168161D+01 -0.789921D+00
      3  -0.161614D+01 -0.294264D+01 -0.136911D+01  0.348657D+00  0.531110D+00
      4   0.108466D+02  0.160021D+02 -0.231044D+01 -0.339619D+01 -0.280514D+01
      5  -0.298033D+01 -0.195836D+01  0.316509D+01  0.217996D+01 -0.254303D+00
      6  -0.311404D+01 -0.631114D+01  0.522160D+01  0.152695D+01  0.187745D+01
               171           172           173           174           175 
      1  -0.187412D+01  0.141900D+02 -0.127551D+02 -0.719802D+00 -0.185027D+02
      2   0.206698D+01 -0.225213D+01  0.357033D+01  0.905225D+00  0.545397D+01
      3  -0.192864D+00 -0.119378D+02  0.918479D+01 -0.185422D+00  0.130487D+02
      4   0.120083D+01 -0.222030D+02  0.192185D+02  0.247663D+01  0.247965D+02
      5  -0.960335D+00 -0.396098D+01  0.333776D+01  0.829470D+01  0.613600D+01
      6  -0.134204D+01  0.389594D+01 -0.283336D+01 -0.583519D+00 -0.392569D+01
               176           177           178           179           180 
      1   0.565297D+01  0.485748D+00  0.100526D+00  0.943649D+00  0.314847D+01
      2   0.948525D+01  0.135568D+00  0.110837D+01 -0.113081D+01 -0.160157D+01
      3  -0.151382D+02 -0.621316D+00 -0.120890D+01  0.187158D+00 -0.154690D+01
      4  -0.409444D+02 -0.384605D+01  0.327874D+01 -0.272925D+01 -0.504274D+01
      5  -0.486001D+01 -0.814841D+01  0.108811D+02 -0.449999D+01 -0.336812D+01
      6   0.824543D+01  0.415802D+01 -0.218677D+01  0.548948D+01  0.194062D+01
               181           182           183           184           185 
      1  -0.809654D+02 -0.141654D+02  0.285938D+02 -0.919979D+01  0.218961D+02
      2   0.438046D+02  0.131825D+02 -0.389813D+01  0.383612D+01 -0.157885D+02
      3   0.371608D+02  0.982883D+00 -0.246957D+02  0.536367D+01 -0.610760D+01
      4  -0.160658D+02  0.129981D+02  0.519141D+01  0.179364D+02 -0.169523D+02
      5   0.378550D+02  0.697923D+01  0.125665D+02 -0.222053D+01 -0.521045D+01
      6   0.360552D+01 -0.830555D+01 -0.442121D+00 -0.905980D+01  0.100202D+02
               186           187           188           189           190 
      1   0.156797D+02  0.106949D+02  0.120929D+02  0.221960D+02 -0.223581D+02
      2   0.933039D+01  0.696738D+01  0.443719D+01 -0.132022D+01  0.227392D+02
      3  -0.250101D+02 -0.176623D+02 -0.165301D+02 -0.208758D+02 -0.381113D+00
      4   0.759109D+00 -0.533986D+01  0.649931D+00  0.257557D+02  0.151308D+02
      5   0.312378D+02  0.276201D+02  0.198563D+02 -0.692200D+01 -0.326067D+02
      6   0.221539D+01  0.590355D+01  0.194926D+01 -0.169890D+02  0.493539D+01
               191           192           193           194           195 
      1   0.663594D+01 -0.125047D+02  0.242795D+02  0.322788D+01  0.131857D+02
      2  -0.430482D+01  0.169198D+02 -0.270600D+02 -0.824039D+01 -0.174000D+02
      3  -0.233111D+01 -0.441508D+01  0.278046D+01  0.501251D+01  0.421427D+01
      4  -0.165736D+01  0.776016D+01  0.171816D+01 -0.600469D+01 -0.664521D+00
      5   0.846291D+01 -0.152758D+02  0.239546D+02 -0.285725D+01  0.379763D+02
      6  -0.561889D+01  0.575195D+01  0.181917D+01  0.100971D+01 -0.204740D+01
               196           197           198           199           200 
      1  -0.329618D+02  0.106631D+02 -0.641429D+01  0.186742D+03  0.226684D+02
      2   0.256589D+02 -0.102358D+02  0.177116D+02 -0.995217D+02 -0.126871D+02
      3   0.730292D+01 -0.427223D+00 -0.112973D+02 -0.872202D+02 -0.998134D+01
      4   0.189899D+02 -0.217032D+02  0.253997D+02  0.219629D+02  0.165394D+02
      5  -0.179589D+02  0.237272D+02 -0.228229D+02 -0.198608D+02 -0.258112D+01
      6   0.933498D+01 -0.690771D+01  0.108971D+02 -0.280879D+00 -0.736852D+00
               201           202           203           204           205 
      1  -0.156593D+02  0.637569D+02  0.200868D+02 -0.580967D+01 -0.200976D+02
      2   0.949365D+01 -0.342719D+02 -0.103147D+02  0.367005D+01  0.122592D+02
      3   0.616561D+01 -0.294850D+02 -0.977209D+01  0.213962D+01  0.783838D+01
      4  -0.221177D+01  0.243237D+02  0.175374D+02 -0.365557D+01 -0.264881D+01
      5   0.190822D+02 -0.691095D+01 -0.383431D+01  0.524409D+01  0.245967D+02
      6  -0.582357D+00 -0.110459D+01 -0.668632D+00  0.176300D+01 -0.221745D+00
               206           207           208           209           210 
      1  -0.311165D+01  0.168986D+02 -0.164430D+01 -0.415554D+01 -0.117291D+02
      2   0.203873D+01 -0.101250D+02  0.591133D+00  0.234548D+01  0.501935D+01
      3   0.107292D+01 -0.677362D+01  0.105317D+01  0.181006D+01  0.670970D+01
      4  -0.350525D+01 -0.858623D+00 -0.114026D+01 -0.168925D+01  0.148553D+01
      5  -0.100301D+01 -0.597123D+01 -0.926941D+01  0.715581D+00 -0.260925D+01
      6   0.260811D+01 -0.428860D-01  0.233997D+01  0.100697D+01  0.201823D+01
               211           212           213           214           215 
      1  -0.162488D+02  0.105451D+01 -0.744589D+00 -0.308139D+02  0.112345D+01
      2   0.678940D+01  0.559091D+01  0.175859D+01  0.167873D+02  0.255816D+00
      3   0.945939D+01 -0.664542D+01 -0.101400D+01  0.140266D+02 -0.137926D+01
      4   0.262752D+02 -0.409442D+02 -0.266918D+02  0.193989D+02 -0.285964D+02
      5   0.152511D+02 -0.269424D+02 -0.336369D+02  0.281472D+02 -0.325354D+02
      6  -0.687150D+01  0.131756D+02  0.136204D+02 -0.912393D+01  0.139192D+02
               216           217           218           219           220 
      1  -0.372417D+00  0.163831D+02 -0.448520D+01  0.125724D+02 -0.146770D+02
      2  -0.549882D+01 -0.858530D+01  0.189160D+01 -0.573497D+01  0.537128D+01
      3   0.587124D+01 -0.779783D+01  0.259360D+01 -0.683743D+01  0.930572D+01
      4  -0.305788D+02 -0.515616D+01  0.243568D+01 -0.666683D+01  0.248282D+02
      5  -0.452475D+02  0.146753D+02 -0.617036D+01  0.433327D+01 -0.169781D+02
      6   0.151850D+02 -0.344723D+01  0.119743D+01  0.116958D+00  0.464187D+01
               221           222           223           224           225 
      1   0.764227D+01 -0.739415D+01  0.446780D+02 -0.114591D+02  0.103292D+02
      2   0.697659D+00  0.133136D+01 -0.240437D+02  0.392973D+01 -0.958326D+01
      3  -0.833993D+01  0.606279D+01 -0.206343D+02  0.752934D+01 -0.745908D+00
      4  -0.288553D+02  0.190514D+02 -0.252371D+02  0.253339D+02 -0.279100D+02
      5   0.201163D+02 -0.296237D+02  0.365716D+02 -0.305841D+02  0.592209D+02
      6  -0.648415D+01  0.995702D+01 -0.903801D+01  0.103185D+02 -0.130313D+02
               226           227           228           229           230 
      1  -0.119199D+01 -0.347814D+01 -0.182575D+02 -0.617507D+01 -0.105050D+02
      2  -0.315354D+01 -0.494047D+00 -0.112767D+01  0.424364D+01  0.948206D+00
      3   0.434553D+01  0.397218D+01  0.193852D+02  0.193144D+01  0.955675D+01
      4  -0.180655D+01 -0.369001D+01 -0.261189D+01 -0.188048D+01 -0.732012D+01
      5  -0.459636D+01 -0.325770D+00 -0.715981D+01  0.619248D+01 -0.708646D+01
      6   0.168946D+01  0.355280D+01  0.145370D+01  0.111374D+01  0.669536D+01
               231           232           233           234           235 
      1  -0.129381D+02 -0.113015D+02 -0.837239D+01 -0.346710D+02 -0.115183D+01
      2  -0.745338D+01  0.508131D+01 -0.378248D+01 -0.185709D+02  0.336406D+01
      3   0.203915D+02  0.622021D+01  0.121549D+02  0.532419D+02 -0.221224D+01
      4  -0.997814D+01 -0.124092D+01 -0.870597D+01 -0.124841D+02  0.315434D+01
      5  -0.219958D+02  0.710603D+01 -0.922019D+01 -0.429314D+02  0.190073D+01
      6   0.920144D+01  0.632327D+00  0.815138D+01  0.755862D+01 -0.225916D+01
               236           237           238           239           240 
      1   0.988023D+01 -0.522495D+01  0.127008D+02 -0.203070D+02  0.439109D+01
      2  -0.760261D+01 -0.792622D+00 -0.787248D+01  0.219544D+02 -0.216187D+00
      3  -0.227762D+01  0.601757D+01 -0.482835D+01 -0.164748D+01 -0.417490D+01
      4  -0.610798D+01  0.162840D+01  0.393468D+01  0.329075D+02 -0.732616D+01
      5  -0.833021D+00 -0.556299D+01 -0.839010D+01 -0.328790D+01  0.926613D+01
      6   0.579622D+01 -0.284990D+01  0.290031D+00 -0.213191D+02  0.881515D+01
               241           242           243           244           245 
      1   0.914306D+00  0.228796D+01 -0.760428D+01  0.114335D+03  0.105521D+02
      2  -0.225688D+01 -0.849218D+00  0.315311D+01 -0.662870D+02 -0.524584D+01
      3   0.134257D+01 -0.143874D+01  0.445117D+01 -0.480481D+02 -0.530624D+01
      4   0.155573D+01 -0.126419D+01  0.137818D+01  0.247117D+02  0.147272D+02
      5  -0.330058D+01  0.138777D+01  0.161725D+01 -0.645251D+02 -0.791186D+01
      6  -0.106255D+01  0.469075D+01 -0.104062D+01 -0.613773D+01 -0.517666D+01
               246           247           248           249           250 
      1  -0.219876D+02  0.827055D+01  0.784991D+01 -0.254270D+01 -0.756996D+01
      2   0.190878D+02 -0.358905D+01 -0.301875D+01  0.143391D+00  0.909088D+01
      3   0.289981D+01 -0.468150D+01 -0.483116D+01  0.239931D+01 -0.152092D+01
      4  -0.662851D+01  0.158915D+02  0.667793D+01 -0.439947D+01 -0.188773D+01
      5   0.305228D+02 -0.469550D+01 -0.608289D+01 -0.166111D+00  0.200799D+02
      6   0.378181D+01 -0.506998D+01 -0.284647D+01  0.285486D+01  0.242888D+01
               251           252           253           254           255 
      1  -0.171465D+01  0.874548D+01  0.725300D+02 -0.221909D+02  0.313561D+02
      2   0.303795D+00 -0.951908D+01 -0.470436D+02  0.126759D+02 -0.237214D+02
      3   0.141086D+01  0.773604D+00 -0.254864D+02  0.951505D+01 -0.763470D+01
      4  -0.171182D+01  0.451527D+00 -0.253868D+02  0.213638D+02 -0.790113D+01
      5   0.944073D+00 -0.116403D+02  0.537592D+02 -0.119577D+02  0.384923D+02
      6   0.163536D+01 -0.179307D+00 -0.739830D+01  0.728842D+01 -0.404307D+01
               256           257           258           259           260 
      1  -0.374705D+02  0.114995D+02 -0.765507D+01  0.446257D+02 -0.531527D+01
      2   0.266807D+02 -0.685713D+01  0.138595D+02 -0.395602D+02  0.104686D+02
      3   0.107898D+02 -0.464234D+01 -0.620445D+01 -0.506548D+01 -0.515329D+01
      4   0.249862D+02 -0.348155D+02  0.215100D+02 -0.142248D+02  0.282789D+02
      5  -0.288102D+02  0.219556D+02 -0.328698D+02  0.643491D+02 -0.244748D+02
      6   0.936406D+01 -0.138783D+02  0.138025D+02 -0.494392D+01  0.163197D+02
               261           262           263           264           265 
      1   0.130808D+02  0.659881D+00  0.119926D+02  0.107392D+01  0.122504D+02
      2  -0.389021D+02  0.293742D+01 -0.550326D+01 -0.191568D+00 -0.235117D+01
      3   0.258213D+02 -0.359730D+01 -0.648929D+01 -0.882355D+00 -0.989921D+01
      4  -0.236158D+02  0.297999D+01 -0.379028D+00 -0.103725D+02  0.125723D+02
      5   0.725505D+02 -0.707668D+01 -0.658235D+01 -0.914840D+01 -0.697111D+01
      6  -0.125222D+02 -0.200567D+01 -0.544039D+01 -0.793613D+01 -0.450812D+01
               266           267           268           269           270 
      1  -0.106693D+02 -0.467796D+01 -0.528682D+01 -0.474953D+01 -0.671509D+01
      2   0.280300D+02  0.403387D+01  0.254179D+01  0.117690D+01  0.584459D+01
      3  -0.173607D+02  0.644086D+00  0.274503D+01  0.357262D+01  0.870497D+00
      4   0.313293D+02 -0.997565D+01 -0.189490D+02 -0.207072D+02 -0.165510D+02
      5  -0.987865D+01 -0.924315D+01 -0.162525D+02 -0.149747D+02 -0.346085D+02
      6   0.464378D+01  0.797588D+00 -0.115661D+02 -0.551240D+01 -0.162341D+02
               271           272           273           274           275 
      1   0.882175D+01  0.664352D+01  0.714835D+01  0.369768D+01 -0.253077D+01
      2  -0.440361D+01 -0.296076D+01 -0.448104D+01  0.314048D+00  0.552141D+01
      3  -0.441814D+01 -0.368276D+01 -0.266731D+01 -0.401173D+01 -0.299065D+01
      4   0.161915D+02  0.142166D+02  0.123536D+02  0.123968D+02  0.210849D+02
      5   0.144977D+02  0.110611D+02  0.152749D+02  0.824134D+01  0.114514D+02
      6   0.813046D+01  0.618745D+01  0.706986D+01  0.580851D+01  0.110221D+02
               276           277           278           279 
      1  -0.137551D+01  0.693859D+01 -0.160066D+01 -0.198055D+01
      2   0.223681D+01 -0.608926D+01  0.960237D-01 -0.628319D+01
      3  -0.861298D+00 -0.849321D+00  0.150463D+01  0.826373D+01
      4   0.123900D+02  0.208406D+02  0.273133D+02  0.281658D+02
      5   0.129723D+02  0.255141D+02  0.255998D+02  0.405618D+02
      6   0.956421D+01  0.133171D+02  0.181009D+02  0.229805D+02
 Leave Link  716 at Thu Sep 23 14:16:58 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.290372D+03 -0.193419D+02 -0.801563D+01
      2  -0.193419D+02  0.179467D+03 -0.513583D+01
      3  -0.801563D+01 -0.513583D+01  0.119795D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.113434D+02  0.202675D+02  0.300928D+01
      2  -0.790877D+02 -0.187485D+01 -0.260182D+02
      3   0.102174D+03 -0.422214D+02 -0.511505D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.420844D+03 -0.107866D+03 -0.880042D+02
      2  -0.180867D+03  0.908466D+02  0.880912D+01
      3  -0.239977D+03  0.170192D+02  0.791951D+02
      4  -0.575750D+02  0.862227D+02 -0.487437D+01
      5  -0.102634D+02  0.114011D+01 -0.849344D+02
      6  -0.394102D+01  0.198484D+02 -0.206761D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.383499D+02 -0.757934D+01 -0.135953D+01 -0.381673D+01  0.235092D+01
      2  -0.757934D+01  0.943999D+01 -0.165999D+00  0.235092D+01 -0.141560D+02
      3  -0.135953D+01 -0.165999D+00  0.276619D+01  0.583335D+00  0.152432D+01
                 6             7             8             9            10 
      1   0.583335D+00 -0.190582D+01  0.104232D+01  0.702863D+01  0.500107D+01
      2   0.152432D+01  0.104232D+01  0.231314D+00 -0.143253D+01  0.211674D+01
      3  -0.178839D+00  0.702863D+01 -0.143253D+01 -0.118277D+01 -0.256616D+00
                11            12            13            14            15 
      1   0.211674D+01 -0.256616D+00 -0.143329D+02  0.404384D+01  0.108048D+01
      2   0.993969D+01 -0.157220D+01  0.404384D+01  0.423245D+01 -0.142911D+01
      3  -0.157220D+01  0.197187D+01  0.108048D+01 -0.142911D+01 -0.124541D+01
                16            17            18            19            20 
      1   0.162968D+01 -0.492146D+00  0.409582D+01 -0.365222D+02  0.119890D+02
      2  -0.492146D+00 -0.199708D+01 -0.269354D+01  0.119890D+02 -0.908168D+01
      3   0.409582D+01 -0.269354D+01 -0.263225D+00  0.141059D+01  0.642975D+00
                21            22            23            24            25 
      1   0.141059D+01  0.192946D+02 -0.529051D+01 -0.776519D+00  0.174541D+01
      2   0.642975D+00 -0.529051D+01  0.755110D+01  0.268100D+00 -0.139151D+00
      3  -0.381869D+00 -0.776519D+00  0.268100D+00  0.187733D+01  0.242132D+00
                26            27            28            29            30 
      1  -0.139151D+00  0.242132D+00  0.366763D+02 -0.107518D+02 -0.119777D+01
      2   0.115048D+01  0.460958D+01 -0.107518D+02  0.322776D+01  0.377174D+00
      3   0.460958D+01 -0.117373D+01 -0.119777D+01  0.377174D+00  0.155740D+00
                31            32            33            34            35 
      1   0.442660D+02 -0.868905D+01 -0.298629D+01 -0.805239D+01  0.216180D+01
      2  -0.868905D+01  0.834617D+01  0.300260D+00  0.216180D+01 -0.109417D+01
      3  -0.298629D+01  0.300260D+00  0.170993D+00  0.134920D+01  0.784385D+00
                36            37            38            39            40 
      1   0.134920D+01 -0.400791D+02  0.114771D+02  0.133989D+01 -0.409979D+02
      2   0.784385D+00  0.114771D+02 -0.750916D+01 -0.490961D+00  0.754839D+01
      3  -0.199559D+00  0.133989D+01 -0.490961D+00  0.169204D+00  0.272053D+01
                41            42            43            44            45 
      1   0.754839D+01  0.272053D+01  0.820324D+01 -0.201727D+01 -0.140406D+01
      2  -0.604275D+01 -0.143726D+00 -0.201727D+01  0.127572D+01 -0.674407D+00
      3  -0.143726D+00 -0.259987D+00 -0.140406D+01 -0.674407D+00  0.202390D+00
                46            47            48            49            50 
      1  -0.559494D+01 -0.327733D+01  0.988656D+00 -0.126826D+01  0.377863D+01
      2  -0.327733D+01 -0.517145D+01  0.404183D+00  0.377863D+01 -0.284932D+01
      3   0.988656D+00  0.404183D+00 -0.170019D+01 -0.744424D+00 -0.670086D+00
                51            52            53            54            55 
      1  -0.744424D+00  0.707921D+00 -0.508289D+00 -0.754495D+00  0.103036D+02
      2  -0.670086D+00 -0.508289D+00 -0.104271D+00 -0.418316D+01  0.184355D+01
      3  -0.109674D+01 -0.754495D+00 -0.418316D+01  0.138856D+01 -0.168199D+01
                56            57            58            59            60 
      1   0.184355D+01 -0.168199D+01 -0.362264D+00 -0.298899D+01  0.767336D+00
      2   0.982256D+01 -0.855624D-01 -0.298899D+01  0.483156D+00  0.727316D+00
      3  -0.855624D-01  0.138885D+01  0.767336D+00  0.727316D+00  0.111299D+01
                61            62            63            64            65 
      1  -0.641255D+00  0.728052D+00  0.137620D+01 -0.513320D+01 -0.247556D+01
      2   0.728052D+00  0.131985D+00  0.453243D+01 -0.247556D+01 -0.138909D+02
      3   0.137620D+01  0.453243D+01 -0.141909D+01  0.446557D+00  0.135036D+01
                66            67            68            69            70 
      1   0.446557D+00  0.109032D+02 -0.188206D+01 -0.483243D+00 -0.365215D+01
      2   0.135036D+01 -0.188206D+01 -0.759519D+01  0.129666D+01  0.211389D+00
      3  -0.203214D+01 -0.483243D+00  0.129666D+01  0.123888D+01 -0.557573D+01
                71            72            73            74            75 
      1   0.211389D+00 -0.557573D+01 -0.475062D+02  0.567087D+01  0.171062D+01
      2   0.286766D+01  0.259013D+01  0.567087D+01 -0.491650D+01  0.270696D+00
      3   0.259013D+01  0.712697D+00  0.171062D+01  0.270696D+00 -0.133051D+01
                76            77            78            79            80 
      1   0.816637D+01 -0.241467D+01 -0.119597D+01  0.586853D+00 -0.113247D+01
      2  -0.241467D+01  0.177069D+02 -0.131929D+01 -0.113247D+01 -0.798538D+00
      3  -0.119597D+01 -0.131929D+01 -0.295819D+00 -0.633218D+01  0.816491D+00
                81            82            83            84            85 
      1  -0.633218D+01  0.421932D+02 -0.117623D+02 -0.163272D+01 -0.215399D+02
      2   0.816491D+00 -0.117623D+02  0.114535D+02 -0.600188D+00  0.273827D+01
      3   0.979299D+00 -0.163272D+01 -0.600188D+00  0.243716D+00  0.516889D+00
                86            87            88            89            90 
      1   0.273827D+01  0.516889D+00 -0.361677D+01  0.195065D+00 -0.343072D+00
      2  -0.755727D+01  0.914389D-01  0.195065D+00 -0.102976D+01 -0.356843D+01
      3   0.914389D-01 -0.167837D+01 -0.343072D+00 -0.356843D+01  0.140059D+01
                91            92            93            94            95 
      1   0.735514D+01 -0.173592D+01 -0.113983D+01  0.454303D+01  0.219900D+01
      2  -0.173592D+01  0.200672D+01 -0.532384D-02  0.219900D+01 -0.296560D+01
      3  -0.113983D+01 -0.532384D-02  0.183669D+01 -0.597188D+00 -0.471013D+00
                96            97            98            99           100 
      1  -0.597188D+00  0.522099D+01  0.455359D+00  0.669686D+01 -0.104164D+02
      2  -0.471013D+00  0.455359D+00  0.146655D-01  0.226650D+01  0.451402D+01
      3   0.310353D+01  0.669686D+01  0.226650D+01 -0.632836D+00  0.270637D+00
               101           102           103           104           105 
      1   0.451402D+01  0.270637D+00 -0.330987D+00  0.284334D+01 -0.342379D+00
      2  -0.395924D+01  0.208133D-01  0.284334D+01  0.128339D+01 -0.405274D+00
      3   0.208133D-01  0.250602D+00 -0.342379D+00 -0.405274D+00 -0.756233D+00
               106           107           108           109           110 
      1   0.104276D+01 -0.633374D+00  0.112642D+00 -0.173708D+00 -0.441296D+01
      2  -0.633374D+00  0.405583D+00  0.753824D+00 -0.441296D+01  0.172982D+01
      3   0.112642D+00  0.753824D+00 -0.115157D+00  0.368543D+00  0.736948D+00
               111           112           113           114           115 
      1   0.368543D+00 -0.530523D+01 -0.157241D+01  0.100475D+01  0.288029D+00
      2   0.736948D+00 -0.157241D+01  0.166619D+01  0.964120D+00  0.864942D+00
      3  -0.108841D+00  0.100475D+01  0.964120D+00  0.562577D+01 -0.212069D+01
               116           117           118           119           120 
      1   0.864942D+00 -0.212069D+01  0.646723D+01 -0.312764D+01 -0.320534D+00
      2   0.602982D+00  0.440451D+01 -0.312764D+01  0.283448D+01  0.128622D-01
      3   0.440451D+01 -0.106993D+01 -0.320534D+00  0.128622D-01  0.298379D+00
               121           122           123           124           125 
      1  -0.434936D+01  0.460772D+01 -0.178681D+00 -0.390418D+00 -0.206700D+00
      2   0.460772D+01 -0.559171D+01  0.783202D-01 -0.206700D+00  0.252122D+00
      3  -0.178681D+00  0.783202D-01 -0.601942D+00 -0.437756D+00 -0.475797D-01
               126           127           128           129           130 
      1  -0.437756D+00  0.172833D+01  0.275449D+01 -0.379410D+00  0.332842D+01
      2  -0.475797D-01  0.275449D+01  0.219857D+01 -0.433972D+00  0.363241D+01
      3   0.131820D+00 -0.379410D+00 -0.433972D+00  0.441346D+00 -0.546405D+00
               131           132           133           134           135 
      1   0.363241D+01 -0.546405D+00 -0.495994D+00 -0.626178D+00  0.319011D+00
      2   0.764776D+01 -0.986767D+00 -0.626178D+00 -0.103155D+01  0.168794D+00
      3  -0.986767D+00  0.105640D+01  0.319011D+00  0.168794D+00 -0.182415D+00
               136           137           138           139           140 
      1  -0.821781D+00 -0.159047D+01  0.239466D+00 -0.507123D+00 -0.120535D+01
      2  -0.159047D+01 -0.229617D+01  0.380091D+00 -0.120535D+01 -0.915365D+01
      3   0.239466D+00  0.380091D+00 -0.290361D+00  0.111784D+00  0.101092D+01
               141           142           143           144           145 
      1   0.111784D+00  0.168133D+00  0.299374D+00  0.788045D-01  0.112046D+01
      2   0.101092D+01  0.299374D+00  0.121736D+01 -0.187877D+00  0.173411D+01
      3  -0.967482D+00  0.788045D-01 -0.187877D+00  0.115312D+00 -0.265384D+00
               146           147           148           149           150 
      1   0.173411D+01 -0.265384D+00  0.818219D+00  0.172409D+01 -0.149977D+00
      2   0.265215D+01 -0.399002D+00  0.172409D+01  0.104426D+02 -0.105741D+01
      3  -0.399002D+00  0.295228D+00 -0.149977D+00 -0.105741D+01  0.100918D+01
               151           152           153           154           155 
      1   0.217680D+00 -0.430662D+00  0.579262D-01 -0.563345D+01  0.341476D+01
      2  -0.430662D+00 -0.137705D+01  0.187936D+00  0.341476D+01 -0.354311D+01
      3   0.579262D-01  0.187936D+00 -0.119406D+00  0.269793D+00 -0.587251D-01
               156           157           158           159           160 
      1   0.269793D+00  0.376782D+01 -0.462351D+01  0.163935D+00  0.101027D+00
      2  -0.587251D-01 -0.462351D+01  0.628475D+01  0.648749D-02  0.267474D+00
      3  -0.447627D+00  0.163935D+00  0.648749D-02  0.738191D+00  0.407989D+00
               161           162           163           164           165 
      1   0.267474D+00  0.407989D+00 -0.752137D+00 -0.159309D+01  0.963139D+00
      2  -0.274340D+00  0.239966D+00 -0.159309D+01 -0.686220D+00  0.473620D+00
      3   0.239966D+00 -0.168086D+00  0.963139D+00  0.473620D+00 -0.318055D+00
               166           167           168           169           170 
      1  -0.275686D+01 -0.267090D+01  0.606873D+00  0.105189D+01  0.743648D+00
      2  -0.267090D+01 -0.556951D+01  0.829844D+00  0.743648D+00  0.641026D+00
      3   0.606873D+00  0.829844D+00 -0.939974D+00 -0.224182D+00 -0.657437D-01
               171           172           173           174           175 
      1  -0.224182D+00 -0.164423D+01  0.226657D+01  0.219780D+00  0.438147D+01
      2  -0.657437D-01  0.226657D+01 -0.167294D+01 -0.240029D+00 -0.234172D+01
      3   0.174288D+00  0.219780D+00 -0.240029D+00 -0.913454D+00 -0.557279D+00
               176           177           178           179           180 
      1  -0.234172D+01 -0.557279D+00 -0.129019D+00 -0.260584D+00 -0.127771D+01
      2   0.496122D+01  0.414248D+00 -0.260584D+00  0.293768D+00  0.566013D+00
      3   0.414248D+00  0.100930D+01 -0.127771D+01  0.566013D+00  0.382511D+00
               181           182           183           184           185 
      1   0.974062D+01  0.134080D+01 -0.155942D+01 -0.174712D+01 -0.192394D+01
      2   0.134080D+01 -0.144860D+01 -0.420868D+00 -0.192394D+01  0.246341D+01
      3  -0.155942D+01 -0.420868D+00 -0.284517D+01  0.808230D+00 -0.287041D+00
               186           187           188           189           190 
      1   0.808230D+00  0.268950D+01  0.413054D+00 -0.397790D+01  0.549016D+01
      2  -0.287041D+00  0.413054D+00  0.709700D-01 -0.313158D+01 -0.866984D+00
      3  -0.482085D+01 -0.397790D+01 -0.313158D+01 -0.581543D+00  0.287757D+01
               191           192           193           194           195 
      1  -0.866984D+00  0.287757D+01 -0.367247D+01 -0.547741D+00 -0.231868D+01
      2  -0.202276D+00 -0.940291D+00 -0.547741D+00  0.966202D-01  0.339865D+00
      3  -0.940291D+00  0.149263D+01 -0.231868D+01  0.339865D+00 -0.441758D+01
               196           197           198           199           200 
      1   0.476555D+01 -0.151170D+01  0.790539D+00  0.140381D+02  0.183759D+01
      2  -0.151170D+01  0.481892D+00 -0.258648D+01  0.183759D+01  0.101443D+01
      3   0.790539D+00 -0.258648D+01  0.115720D+01 -0.128176D+01 -0.187893D+00
               201           202           203           204           205 
      1  -0.128176D+01  0.545364D+01  0.159689D+01 -0.498051D+00 -0.168409D+01
      2  -0.187893D+00  0.159689D+01  0.138027D+01 -0.288603D+00 -0.218196D+00
      3   0.124963D+01 -0.498051D+00 -0.288603D+00  0.345245D+00  0.169797D+01
               206           207           208           209           210 
      1  -0.218196D+00  0.169797D+01 -0.933551D+00  0.448232D-01 -0.733500D+00
      2  -0.284317D+00 -0.162311D+00  0.448232D-01 -0.598618D+00 -0.104874D+00
      3  -0.162311D+00 -0.425113D+00 -0.733500D+00 -0.104874D+00 -0.546957D+00
               211           212           213           214           215 
      1  -0.182685D+01  0.197489D+01  0.124257D+01 -0.351399D+01  0.156541D+01
      2   0.197489D+01 -0.366809D+01 -0.253940D+01  0.156541D+01 -0.267601D+01
      3   0.124257D+01 -0.253940D+01 -0.298210D+01  0.226904D+01 -0.303169D+01
               216           217           218           219           220 
      1   0.226904D+01  0.746684D+00 -0.167703D+00  0.123678D+01 -0.145549D+01
      2  -0.303169D+01 -0.167703D+00 -0.164133D+00 -0.420044D+00  0.183799D+01
      3  -0.431753D+01  0.123678D+01 -0.420044D+00  0.926118D-01 -0.131904D+01
               221           222           223           224           225 
      1   0.183799D+01 -0.131904D+01  0.487519D+01 -0.199000D+01  0.283485D+01
      2  -0.240190D+01  0.169327D+01 -0.199000D+01  0.218299D+01 -0.263004D+01
      3   0.169327D+01 -0.246610D+01  0.283485D+01 -0.263004D+01  0.510561D+01
               226           227           228           229           230 
      1   0.513931D-01  0.421718D+00  0.100276D+01  0.150114D+01  0.373839D+00
      2   0.421718D+00  0.582737D+00  0.378410D+00  0.373839D+00  0.105434D+01
      3   0.100276D+01  0.378410D+00  0.235752D+01 -0.355570D+00  0.147838D+01
               231           232           233           234           235 
      1  -0.355570D+00  0.127172D+01  0.181243D+00  0.204315D+00  0.553873D+00
      2   0.147838D+01  0.181243D+00  0.128794D+01  0.168163D+01 -0.576625D+00
      3   0.354644D+01  0.204315D+00  0.168163D+01  0.754054D+01 -0.242725D+00
               236           237           238           239           240 
      1  -0.576625D+00 -0.242725D+00 -0.215805D+01  0.126728D-02  0.409998D+00
      2   0.117449D+01 -0.344231D+00  0.126728D-02 -0.509917D+01  0.111618D+01
      3  -0.344231D+00  0.113462D+01  0.409998D+00  0.111618D+01 -0.143726D+01
               241           242           243           244           245 
      1  -0.750894D+00 -0.243200D+00  0.618492D+00 -0.148327D+02 -0.181892D+01
      2  -0.243200D+00  0.333512D+00 -0.363275D+00 -0.181892D+01 -0.105206D+01
      3   0.618492D+00 -0.363275D+00  0.105699D+00  0.379933D+01  0.563946D+00
               246           247           248           249           250 
      1   0.379933D+01 -0.165149D+01 -0.129648D+01  0.252983D+00  0.124953D+01
      2   0.563946D+00 -0.129648D+01 -0.560979D+00  0.446373D+00  0.170414D+00
      3  -0.239476D+01  0.252983D+00  0.446373D+00  0.241091D+00 -0.147902D+01
               251           252           253           254           255 
      1   0.170414D+00 -0.147902D+01 -0.921661D+01  0.261353D+01 -0.440096D+01
      2  -0.151713D-01  0.671267D-01  0.261353D+01 -0.142375D+01  0.846162D+00
      3   0.671267D-01  0.955357D+00 -0.440096D+01  0.846162D+00 -0.297932D+01
               256           257           258           259           260 
      1   0.728596D+01 -0.197511D+01  0.262686D+01 -0.995633D+01  0.119685D+01
      2  -0.197511D+01  0.389917D+01 -0.232735D+01  0.119685D+01 -0.214665D+01
      3   0.262686D+01 -0.232735D+01  0.369265D+01 -0.586033D+01  0.266732D+01
               261           262           263           264           265 
      1  -0.586033D+01  0.896408D+00 -0.779283D+00  0.735937D+00 -0.473494D+01
      2   0.266732D+01 -0.779283D+00  0.935323D+00  0.109745D+01 -0.594628D+00
      3  -0.773412D+01  0.735937D+00  0.109745D+01  0.165080D+01  0.104518D+01
               266           267           268           269           270 
      1  -0.594628D+00  0.104518D+01  0.136957D+01  0.197949D+01  0.243704D+01
      2  -0.360603D+01  0.823542D+00  0.197949D+01  0.263992D+01  0.166308D+01
      3   0.823542D+00  0.111485D+01  0.243704D+01  0.166308D+01  0.443228D+01
               271           272           273           274           275 
      1  -0.145231D+01 -0.152371D+01 -0.142790D+01 -0.896033D+00 -0.123444D+01
      2  -0.152371D+01 -0.139539D+01 -0.108553D+01 -0.123444D+01 -0.268246D+01
      3  -0.142790D+01 -0.108553D+01 -0.150639D+01 -0.892039D+00 -0.148459D+01
               276           277           278           279 
      1  -0.892039D+00 -0.239557D+01 -0.206597D+01 -0.283033D+01
      2  -0.148459D+01 -0.206597D+01 -0.325299D+01 -0.324108D+01
      3  -0.173815D+01 -0.283033D+01 -0.324108D+01 -0.519965D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.547188D+00  0.507166D+01 -0.211698D+01  0.408834D+01 -0.136387D+01
      2  -0.111459D+02  0.433590D+01 -0.897682D+00  0.595910D+01 -0.316624D+01
      3   0.108052D+02  0.162842D+02 -0.161579D+01  0.365561D+02 -0.134413D+01
                 6             7             8             9            10 
      1   0.254396D+01 -0.105164D+01  0.144311D+02 -0.129986D+01 -0.357423D-01
      2  -0.720770D+00  0.271879D+01  0.195850D+01 -0.179781D+01 -0.209093D+01
      3  -0.251787D+01 -0.414361D+01 -0.273642D+01  0.513181D+01 -0.205877D+02
                11            12            13            14            15 
      1   0.357566D+01  0.399664D+01 -0.335770D-01  0.140181D+00 -0.184327D+01
      2   0.868390D+00  0.656369D+01  0.161934D+01 -0.236354D+01 -0.260108D+01
      3   0.354558D+01 -0.722025D-01 -0.201318D+02 -0.103347D+02  0.288050D+01
                16            17            18            19            20 
      1   0.123589D+02  0.544234D+01 -0.266414D+01 -0.260653D+01 -0.430005D+01
      2  -0.454542D+01 -0.114812D+02  0.147594D+00  0.823670D+01 -0.592477D+01
      3   0.335983D+01  0.108129D+01 -0.291262D+00 -0.393608D+02 -0.276763D+02
                21            22            23            24            25 
      1   0.109699D+01 -0.103817D+01  0.247140D+01 -0.281333D+01 -0.725575D+01
      2   0.274748D+01 -0.670088D+01  0.532936D+01  0.293790D+01 -0.170124D+02
      3   0.489514D+01  0.984031D+01  0.805173D+01 -0.275141D+01  0.426291D+01
                26            27            28            29            30 
      1   0.253675D+01  0.689346D+00  0.120134D+01  0.505795D+01 -0.100939D+01
      2   0.189486D+02 -0.186460D+01 -0.138211D+02  0.879971D+01 -0.320487D+01
      3  -0.130853D+01 -0.103653D+02  0.325928D+02  0.395866D+02 -0.644409D+01
                31            32            33            34            35 
      1   0.436631D+01 -0.495257D-01  0.345549D+00 -0.493859D+01  0.718511D+01
      2  -0.683281D+01 -0.179205D+01  0.129972D+01 -0.180318D+02  0.112515D+01
      3   0.699675D+02 -0.321209D+02 -0.245223D+01 -0.788255D+01 -0.157339D+01
                36            37            38            39            40 
      1   0.460791D-01 -0.157791D+00  0.341017D+01 -0.556478D+00  0.336540D+01
      2   0.133507D+01  0.125470D+02  0.241727D+01 -0.325607D+00  0.116459D+02
      3   0.635933D+00 -0.164694D+02  0.462487D+02 -0.494307D+01  0.212522D+02
                41            42            43            44            45 
      1  -0.367572D+01 -0.391704D+00 -0.409713D+01  0.859145D+01 -0.692677D+00
      2  -0.520040D+01 -0.349181D+00 -0.214000D+02  0.213348D+01  0.150119D+01
      3  -0.294558D+02  0.154023D+01  0.243564D+01 -0.289505D+01  0.989309D+00
                46            47            48            49            50 
      1   0.191026D+01 -0.532125D+01 -0.334442D+01 -0.999249D+00  0.219208D+01
      2   0.203854D+00 -0.454382D+01 -0.416152D+01 -0.149728D+01  0.206795D+01
      3   0.365690D+02 -0.353076D+02  0.322060D+01 -0.733613D+01  0.339657D+02
                51            52            53            54            55 
      1  -0.184465D+01 -0.789162D+01 -0.317550D+01  0.174941D+01  0.172388D+01
      2  -0.216974D+01 -0.226826D+02 -0.337626D+01  0.411861D+01  0.309126D+01
      3  -0.185532D+01  0.169632D+01  0.223675D+01  0.112531D+02  0.345705D+02
                56            57            58            59            60 
      1  -0.159536D+01 -0.363994D+01 -0.275053D+01  0.182114D+01 -0.278274D+01
      2  -0.600392D+01  0.831784D+00 -0.325019D+01  0.417671D+01 -0.451760D+00
      3  -0.350854D+02  0.185708D+01 -0.723148D+01  0.264630D+02 -0.148102D+01
                61            62            63            64            65 
      1  -0.919513D+01 -0.561746D+01  0.374679D+01 -0.152064D-01 -0.208685D+01
      2  -0.175920D+02  0.582758D+00  0.150396D+01 -0.340889D+01  0.167907D+01
      3   0.108023D+00  0.168120D+01  0.533806D+01 -0.183531D+02  0.661527D+01
                66            67            68            69            70 
      1   0.479887D+01  0.313270D+01 -0.195946D+01 -0.820510D+00  0.155492D+02
      2   0.259010D+01 -0.696055D+01 -0.297929D+00 -0.195122D+01 -0.437069D+01
      3  -0.154393D+01  0.906172D+01 -0.598090D+00 -0.163980D+01 -0.283340D+01
                71            72            73            74            75 
      1   0.580578D+01 -0.265328D+01 -0.604557D+01  0.191726D+01 -0.337427D+00
      2  -0.890283D+01  0.226178D+01  0.157991D+02 -0.158908D+01 -0.897496D+00
      3  -0.807791D+00 -0.694212D+01 -0.407214D+02  0.128651D+02  0.539163D+00
                76            77            78            79            80 
      1   0.155181D+01  0.519043D+01 -0.262487D+00  0.241450D+01  0.137592D+02
      2   0.535176D+00 -0.494680D+00  0.199005D+01 -0.828454D+01  0.234387D+01
      3   0.334426D+02 -0.115030D+02  0.116882D+01 -0.220388D+01 -0.157904D+01
                81            82            83            84            85 
      1  -0.254272D+01 -0.273622D+00 -0.112444D+01  0.928112D+00 -0.160483D+01
      2   0.169497D+01 -0.185410D+02  0.516868D+00  0.248911D+00  0.806465D+01
      3  -0.445697D+01  0.162870D+02 -0.414519D+02  0.502907D+01 -0.118230D+02
                86            87            88            89            90 
      1  -0.986055D+00 -0.774040D+00 -0.486825D+01  0.345422D+01 -0.787016D+00
      2   0.794712D+00  0.165738D+01 -0.187832D+02  0.977593D+01 -0.457085D+00
      3   0.604215D+01 -0.922189D+00  0.879400D+00  0.229504D+01 -0.239150D+01
                91            92            93            94            95 
      1   0.329273D+01  0.194774D+01  0.589695D+00  0.510818D+01 -0.144145D+01
      2  -0.379244D+01  0.938415D+00 -0.922660D+00 -0.435191D+01 -0.436843D+00
      3   0.100158D+02  0.160623D+01  0.414863D+00  0.278777D+02 -0.157532D+02
                96            97            98            99           100 
      1  -0.500960D+01  0.367461D+01  0.201542D+01  0.145810D+01  0.101057D+01
      2  -0.907004D+01 -0.363423D+02 -0.798265D+01 -0.183111D+01  0.442523D+01
      3  -0.223772D+01  0.904186D+01 -0.104009D+01  0.152633D+02 -0.376154D+01
               101           102           103           104           105 
      1  -0.482800D+01  0.264629D+01  0.761323D-01 -0.119137D+01 -0.466712D+01
      2  -0.352714D+01  0.136289D+02 -0.114827D+01 -0.172779D+01 -0.462143D+01
      3  -0.393839D+02  0.216937D+01 -0.265846D+01 -0.830585D+01  0.151213D+01
               106           107           108           109           110 
      1   0.141160D+01 -0.139009D+01  0.124106D+00  0.149322D+01  0.170805D+01
      2  -0.576116D+01  0.286692D+01 -0.971508D+00  0.165551D+01  0.448479D+01
      3   0.550030D+00  0.443800D+01 -0.362075D+01  0.357327D+02  0.495423D+01
               111           112           113           114           115 
      1  -0.118393D+01  0.120211D+01 -0.680862D+00  0.567856D+01 -0.106424D+02
      2  -0.108670D+01  0.562338D+01  0.445900D+01  0.352490D+02 -0.161266D+02
      3  -0.673404D+01  0.198415D+02 -0.253065D+02 -0.636331D+01 -0.618257D+01
               116           117           118           119           120 
      1   0.827893D+01 -0.223093D+01 -0.140334D+01  0.462603D+00  0.169916D+01
      2   0.279974D+02 -0.696679D+01 -0.225501D+01  0.572310D+00  0.162130D+01
      3  -0.479940D+01 -0.280627D+02 -0.532546D+01 -0.453540D+01  0.776013D+00
               121           122           123           124           125 
      1  -0.346224D-01 -0.215506D+00 -0.277541D+01 -0.246053D+01  0.108242D+01
      2   0.499742D-01 -0.259641D+00 -0.302522D+01 -0.250431D+01  0.108666D+00
      3  -0.559873D+01  0.128467D+02 -0.100984D+00  0.185055D+01 -0.798033D+00
               126           127           128           129           130 
      1   0.343974D+00  0.126963D+00  0.206233D+00 -0.144168D+01  0.283917D+00
      2   0.625212D+00 -0.859770D+00 -0.100925D+01  0.178847D+01 -0.968183D+00
      3   0.102422D+01 -0.406046D+01 -0.368633D+01  0.740814D+00 -0.228211D+01
               131           132           133           134           135 
      1  -0.175140D+00 -0.372756D+01 -0.492517D-01  0.177206D+01  0.420891D+00
      2  -0.261641D+01  0.374692D+01 -0.139281D+01 -0.916213D-01 -0.373526D+00
      3  -0.184534D+02  0.206004D+01  0.907724D+00  0.223715D+01  0.240356D+00
               136           137           138           139           140 
      1   0.340578D+00  0.108995D+00 -0.149256D+01 -0.334055D-01 -0.506203D+00
      2   0.948949D+00  0.928761D+00  0.423899D-01  0.633874D+00  0.186205D+01
      3   0.782189D+01  0.564673D+01 -0.124337D+01  0.617200D+01  0.184295D+02
               141           142           143           144           145 
      1  -0.425932D+01  0.817111D+00  0.276206D+01  0.158951D+00  0.999019D+00
      2  -0.520655D+00 -0.556573D-01 -0.218826D-01 -0.158958D+00  0.426771D+00
      3  -0.216556D+01 -0.164286D+01 -0.283560D+01 -0.351747D+00  0.556629D+01
               146           147           148           149           150 
      1   0.103156D+01 -0.181210D+01  0.702118D+00  0.271802D+01 -0.525043D+01
      2  -0.395660D-02  0.838814D+00  0.294018D+00 -0.133942D+00  0.122876D+01
      3   0.296324D+01 -0.864345D+00  0.537765D+01  0.384524D+01 -0.626795D+00
               151           152           153           154           155 
      1   0.144269D+01  0.205187D+01  0.310900D+00  0.900457D-01 -0.463715D+00
      2  -0.938274D+00  0.880352D+00 -0.543875D+00 -0.293116D-01 -0.208753D+00
      3  -0.834085D+00 -0.114139D+01 -0.839835D+00 -0.100080D+02  0.128208D+01
               156           157           158           159           160 
      1   0.255037D+01 -0.168548D+01  0.150873D+01 -0.347569D+01 -0.274659D+01
      2   0.182395D+01 -0.774056D+00  0.499639D+00 -0.258958D+01 -0.211030D+01
      3   0.445956D+00  0.372478D+01  0.760695D+00  0.286327D+00  0.138486D+01
               161           162           163           164           165 
      1   0.849862D+00  0.608728D+00  0.950858D+00  0.566561D+00 -0.114464D+01
      2  -0.656225D-01  0.275284D+00 -0.385505D+00  0.702343D-01 -0.835032D-01
      3   0.208603D+00  0.113034D+01 -0.230481D+00  0.167220D+00 -0.908829D+00
               166           167           168           169           170 
      1  -0.358108D+00 -0.190348D+01 -0.316614D+01 -0.755325D+00  0.237299D+01
      2   0.942284D+00 -0.172241D+00  0.145249D+01 -0.183285D+01 -0.131964D+01
      3   0.425167D+01 -0.475023D+01  0.178601D+00 -0.278876D+01  0.142101D+00
               171           172           173           174           175 
      1   0.552001D+00  0.114077D+01 -0.813216D+00  0.884072D+00 -0.403542D+00
      2   0.447498D+00 -0.965591D-04 -0.500310D+00  0.380365D+01 -0.324050D-01
      3   0.536599D+00  0.815113D+01 -0.662861D+01 -0.855300D+00 -0.230542D+01
               176           177           178           179           180 
      1   0.292200D+01 -0.228816D+01  0.192078D+00  0.134911D+01  0.281662D+00
      2   0.290647D+00 -0.367552D+01  0.263383D+01 -0.138831D+01 -0.713375D+00
      3   0.180827D+02  0.595110D+00 -0.159493D+01  0.122349D+01  0.103998D+01
               181           182           183           184           185 
      1   0.223392D+01 -0.548979D+01 -0.182926D+01 -0.341168D+01  0.687690D+01
      2  -0.128091D+02 -0.205426D+01  0.167753D+02 -0.402019D+01  0.537761D+01
      3  -0.158907D+01 -0.122940D+02  0.192431D+01 -0.115701D+02  0.143613D+02
               186           187           188           189           190 
      1  -0.499203D+01  0.821573D+00 -0.197552D+00 -0.908999D+01 -0.115490D+00
      2   0.165791D+02  0.128398D+02  0.108348D+02  0.886925D+01  0.840433D+01
      3   0.118711D+01  0.653827D+01 -0.614426D-01 -0.127413D+02 -0.755100D+01
               191           192           193           194           195 
      1  -0.704610D+01 -0.353672D+01 -0.813814D+01  0.174714D+01 -0.995972D+00
      2   0.481634D+01  0.350995D+01  0.175963D+02 -0.437414D-01  0.164247D+02
      3  -0.624150D+01 -0.591997D+01 -0.440863D+01  0.159797D+00  0.425543D+01
               196           197           198           199           200 
      1   0.102445D+01 -0.115484D+01  0.633154D+00 -0.149021D+01 -0.826513D+00
      2  -0.577582D+01  0.892567D+01 -0.144104D+02 -0.396728D+01 -0.788570D+00
      3  -0.535602D+01  0.173329D+02 -0.113168D+02 -0.209626D+02 -0.110623D+02
               201           202           203           204           205 
      1   0.455512D+00 -0.757408D+00 -0.699987D+00 -0.651702D+00  0.155967D+01
      2   0.936735D+01 -0.162780D+01 -0.127212D+01  0.243135D+01  0.811146D+01
      3   0.226298D+01 -0.119459D+02 -0.960299D+01  0.206853D+01  0.254429D+01
               206           207           208           209           210 
      1   0.317655D+00 -0.872744D-01  0.440913D+00  0.897982D-01 -0.114534D+01
      2  -0.982490D+00 -0.223354D+01 -0.566737D+01 -0.874660D+00 -0.260388D+01
      3   0.229485D+01  0.331573D+00  0.203693D+01  0.274297D+01  0.150806D+01
               211           212           213           214           215 
      1   0.491365D+00  0.226873D+00 -0.341130D+01  0.197623D+01  0.257372D+00
      2   0.450676D+01 -0.131893D+02 -0.170179D+02  0.863637D+01 -0.172004D+02
      3  -0.862240D+01  0.255933D+02  0.146747D+02 -0.585293D+01  0.172922D+02
               216           217           218           219           220 
      1  -0.417270D+01  0.337367D+00 -0.233245D+00 -0.599377D-01 -0.148437D+01
      2  -0.236236D+02  0.811234D+01 -0.254167D+01  0.126277D+01 -0.659976D+01
      3   0.180517D+02  0.119693D+01 -0.369239D+00  0.167487D+01 -0.898366D+01
               221           222           223           224           225 
      1   0.182612D+01 -0.393802D+01  0.388359D+01 -0.966704D+00  0.668996D+01
      2   0.986054D+01 -0.149965D+02  0.130680D+02 -0.161197D+02  0.302544D+02
      3   0.177266D+02 -0.100801D+02  0.792221D+01 -0.148359D+02  0.159416D+02
               226           227           228           229           230 
      1   0.130600D+01  0.262318D+01  0.117361D+01  0.177019D+01  0.371455D+01
      2  -0.557969D+01 -0.215300D+01 -0.939381D+01 -0.229318D+01 -0.607089D+01
      3   0.144671D+01  0.208723D+01  0.113942D+00  0.309801D+01  0.333567D+01
               231           232           233           234           235 
      1   0.294812D+01  0.672537D+00  0.578401D+01  0.656194D+01 -0.291656D+01
      2  -0.121454D+02 -0.567498D+01 -0.701582D+01 -0.274746D+02 -0.159452D+01
      3   0.403598D+01 -0.766199D-01  0.386939D+01  0.429776D+01 -0.690449D+01
               236           237           238           239           240 
      1   0.293275D+01  0.114340D+01  0.137719D+01 -0.113002D+02 -0.140492D+01
      2   0.262316D+01 -0.285322D+01  0.263690D+01 -0.573809D+01  0.419657D+01
      3   0.571900D+01 -0.659699D+00  0.479625D+01 -0.210745D+02  0.376090D+01
               241           242           243           244           245 
      1   0.486791D+00  0.879736D+00 -0.151992D+01 -0.182723D+01 -0.280488D+01
      2  -0.172884D+01  0.131408D+01 -0.147856D+01  0.112110D+02  0.371918D+00
      3   0.860685D+00  0.811219D+00 -0.229649D+01 -0.190700D+01 -0.713464D+01
               246           247           248           249           250 
      1  -0.372813D+00 -0.216207D+01 -0.158405D+01 -0.511107D-01 -0.395937D+00
      2   0.632656D+01  0.158148D+01 -0.161918D-01 -0.108524D+01  0.202138D+01
      3   0.158819D+01 -0.330159D+01 -0.329599D+01  0.133639D+01 -0.918651D+00
               251           252           253           254           255 
      1   0.877529D+00  0.779382D+00 -0.401127D+01  0.531703D+01  0.243155D+01
      2  -0.620324D+00 -0.148980D+01  0.824617D+01 -0.229974D+01  0.117078D+02
      3   0.112036D+01  0.767819D+00  0.850067D+01 -0.100432D+02  0.398810D+01
               256           257           258           259           260 
      1   0.435252D+01 -0.619621D+01 -0.134802D+01 -0.121845D+01  0.926133D+01
      2  -0.138497D+02  0.730877D+01 -0.142103D+02  0.185219D+02 -0.947138D+01
      3  -0.124712D+01  0.185057D+02 -0.919507D+01 -0.419583D+01 -0.178085D+02
               261           262           263           264           265 
      1  -0.595695D+00  0.336407D+01  0.789593D+00  0.214950D+01 -0.201665D+01
      2   0.332210D+02 -0.493051D+01 -0.548481D+01 -0.389506D+01 -0.280434D+01
      3   0.872184D+01 -0.351931D+00  0.318656D+01  0.392525D+01  0.161803D+01
               266           267           268           269           270 
      1   0.382057D+01 -0.593813D+01  0.148481D+01  0.155429D+01  0.656160D+01
      2  -0.202811D+01 -0.376931D+01 -0.813752D+01 -0.514520D+01 -0.144222D+02
      3  -0.173938D+02  0.333738D+01  0.725805D+01  0.735345D+01  0.375682D+01
               271           272           273           274           275 
      1  -0.516753D+00  0.116627D+00 -0.152015D+01 -0.949082D+00 -0.678192D+00
      2   0.356289D+01  0.351576D+01  0.474745D+01  0.202242D+01  0.499322D+01
      3  -0.348325D+01 -0.434550D+01 -0.270260D+01 -0.224024D+01 -0.854483D+01
               276           277           278           279 
      1  -0.253337D+01 -0.186961D+01 -0.425663D+00 -0.594729D+01
      2   0.577687D+01  0.734127D+01  0.110573D+02  0.185623D+02
      3  -0.449568D+01 -0.509394D+01 -0.113974D+02 -0.107753D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.135799D+03 -0.375668D+02 -0.596929D+01  0.113964D+02 -0.313991D+02
      2  -0.746028D+02  0.239199D+02  0.156506D+01 -0.137068D+02  0.313322D+02
      3  -0.611961D+02  0.136469D+02  0.440422D+01  0.231043D+01  0.668497D-01
      4  -0.170043D+02  0.297705D+02 -0.187742D+01 -0.302337D+02 -0.641794D+02
      5  -0.962301D+00 -0.129519D+01  0.293815D+00  0.734085D+01  0.609806D+01
      6  -0.255368D+00  0.105304D+01  0.324942D+01  0.587336D+01 -0.338920D+01
                 6             7             8             9            10 
      1   0.435523D+01 -0.323920D+01  0.789392D+01  0.266707D+02  0.121383D+01
      2  -0.467789D+01  0.383585D+01 -0.685004D+01 -0.241917D+02 -0.225113D+00
      3   0.322666D+00 -0.596650D+00 -0.104388D+01 -0.247904D+01 -0.988719D+00
      4   0.926943D+01  0.954948D+01  0.242723D+01 -0.350819D+01  0.332034D+02
      5  -0.180006D+01  0.503039D+02 -0.962354D+01 -0.358185D+01  0.369647D+01
      6  -0.288078D+01  0.252996D+00  0.294842D+01  0.159981D+01 -0.542051D+01
                11            12            13            14            15 
      1   0.596422D+02 -0.457180D+01 -0.800628D+02  0.360833D+02  0.241487D+01
      2  -0.408868D+02  0.142580D+01  0.543110D+02 -0.295046D+02 -0.139215D+01
      3  -0.187554D+02  0.314601D+01  0.257518D+02 -0.657864D+01 -0.102272D+01
      4   0.377596D+02 -0.823829D+01  0.339556D+02  0.299511D+02 -0.852000D+01
      5  -0.939064D+01  0.142864D+02  0.444192D+01 -0.679776D+01 -0.730701D+01
      6   0.356128D+01 -0.794451D+01 -0.607101D+01  0.279089D+01  0.452893D+01
                16            17            18            19            20 
      1   0.121546D+02 -0.121132D+02  0.206205D+01 -0.109574D+03  0.136839D+02
      2  -0.110723D+02  0.938198D+01 -0.728792D+01  0.502696D+02 -0.466213D+01
      3  -0.108229D+01  0.273122D+01  0.522587D+01  0.593044D+02 -0.902177D+01
      4  -0.737494D+01 -0.919271D+01 -0.165282D+02  0.167262D+02 -0.360063D+02
      5   0.281029D+02 -0.174327D+02  0.257847D+01  0.739556D+01  0.664039D+01
      6  -0.172532D+02  0.107195D+02  0.253537D+01  0.546941D+01  0.874323D+00
                21            22            23            24            25 
      1   0.637958D+01  0.880223D+02 -0.116026D+02 -0.736739D+01  0.150137D+01
      2  -0.316118D+01 -0.553592D+02 -0.476623D+01  0.602570D+01  0.150440D+01
      3  -0.321840D+01 -0.326631D+02  0.163688D+02  0.134169D+01 -0.300577D+01
      4   0.590101D+01 -0.892892D+01  0.252133D+02  0.183087D+01  0.308850D+01
      5   0.285767D+01 -0.405392D+01  0.300952D+01  0.768888D+01  0.445754D+01
      6  -0.501153D+00  0.149160D+01  0.550886D+01  0.403287D+01  0.411498D+01
                26            27            28            29            30 
      1   0.219622D+01 -0.172826D+02  0.895052D+02 -0.436443D+01 -0.823252D+01
      2   0.316948D+01  0.238989D+01 -0.390938D+02  0.253088D+00  0.292078D+01
      3  -0.536570D+01  0.148927D+02 -0.504114D+02  0.411134D+01  0.531174D+01
      4   0.864573D+01  0.258460D+02 -0.163951D+02  0.676623D+01  0.159750D+00
      5   0.270591D+02 -0.354146D+01 -0.577243D+01 -0.178630D+01 -0.555918D+01
      6   0.161879D+02 -0.170615D+01 -0.391737D+01  0.139576D+01  0.145596D+01
                31            32            33            34            35 
      1   0.921892D+02 -0.349430D+02 -0.545386D+01 -0.189786D+02  0.310771D+01
      2  -0.439637D+02  0.290026D+02  0.105385D+01  0.824487D+01 -0.271666D+01
      3  -0.482254D+02  0.594041D+01  0.440001D+01  0.107337D+02 -0.391047D+00
      4  -0.180705D+02  0.131416D+02 -0.220388D-01  0.336511D+01 -0.112555D+01
      5   0.412419D+01 -0.215850D+01  0.942584D+00  0.832902D+00  0.227773D+01
      6  -0.266497D+01  0.873751D+00 -0.838073D+00  0.357403D+01  0.310417D+01
                36            37            38            39            40 
      1  -0.602710D+01 -0.884086D+02  0.536095D+02  0.522598D+00 -0.873494D+02
      2  -0.270489D+01  0.482968D+02 -0.348927D+02 -0.129138D+01  0.469625D+02
      3   0.873199D+01  0.401119D+02 -0.187168D+02  0.768781D+00  0.403870D+02
      4   0.220509D+01  0.548767D+02 -0.376653D+01 -0.318319D+01 -0.802303D+01
      5   0.201585D+01 -0.340625D+00 -0.172401D+01  0.895073D+00 -0.123819D+01
      6   0.115798D+01 -0.168823D+01 -0.127240D+01  0.800309D+00  0.427299D+01
                41            42            43            44            45 
      1  -0.624566D+00  0.677999D+01  0.146434D+02 -0.674777D+01 -0.122753D+02
      2   0.363690D+01 -0.481152D+01 -0.752225D+01  0.343981D+01 -0.984368D+00
      3  -0.301234D+01 -0.196848D+01 -0.712116D+01  0.330795D+01  0.132597D+02
      4  -0.393877D+01  0.136323D+01 -0.460249D+01  0.115248D+01  0.944886D+00
      5   0.272943D+01 -0.862008D-01 -0.117863D+01 -0.140977D+01  0.176006D+01
      6  -0.307941D+01  0.408565D-01  0.188570D+01  0.176897D+01  0.540211D+00
                46            47            48            49            50 
      1  -0.373265D+00 -0.560764D+02  0.278259D+01  0.227056D+01  0.245224D+02
      2  -0.459296D+01  0.373237D+02 -0.666245D+00 -0.580423D+01 -0.231652D+02
      3   0.496623D+01  0.187527D+02 -0.211635D+01  0.353366D+01 -0.135724D+01
      4  -0.406696D+02 -0.314831D+02  0.543547D+01  0.323136D+02 -0.170965D+02
      5  -0.142276D+01  0.598285D+01 -0.987386D+01 -0.188281D+01 -0.449911D+00
      6   0.513674D+01  0.173906D+01  0.609731D+01  0.562140D-01  0.541472D+01
                51            52            53            54            55 
      1  -0.517210D+01 -0.246834D+01 -0.357143D+00 -0.219438D+02  0.166536D+02
      2   0.505665D+01  0.304624D+01  0.555727D+01  0.781983D+01 -0.126717D+02
      3   0.115457D+00 -0.577902D+00 -0.520013D+01  0.141239D+02 -0.398195D+01
      4  -0.146220D+01 -0.210348D+00  0.451828D+01 -0.105458D+02  0.567167D+01
      5  -0.211410D+01 -0.759379D-01 -0.127583D+02  0.640690D+01  0.722155D+01
      6   0.462064D+01  0.218771D+01  0.209467D+02 -0.430932D+01  0.171193D+01
                56            57            58            59            60 
      1  -0.516848D+02 -0.167462D+00  0.131179D+02  0.208997D+01 -0.373527D+01
      2   0.453940D+02 -0.135218D+00 -0.132143D+02 -0.112956D+02  0.467909D+01
      3   0.629078D+01  0.302680D+00  0.964146D-01  0.920562D+01 -0.943815D+00
      4  -0.670996D+01  0.852425D+00  0.271091D+01 -0.108823D+02  0.219945D+01
      5   0.380087D+01 -0.100256D+01 -0.210433D+01  0.188128D+01  0.141391D+01
      6   0.602539D+01  0.684505D+01  0.109044D+01  0.731543D+01  0.671130D+01
                61            62            63            64            65 
      1  -0.541808D+01  0.461482D+00 -0.243985D+02 -0.914155D+01  0.705025D+02
      2   0.566075D+01  0.325867D+01  0.148233D+02  0.260819D+01 -0.612083D+02
      3  -0.242671D+00 -0.372015D+01  0.957519D+01  0.653336D+01 -0.929411D+01
      4   0.972361D+00  0.562841D+01  0.701538D+01  0.665273D+01 -0.158441D+02
      5   0.407171D+01  0.134828D+01  0.201603D+01 -0.992789D+00 -0.484622D+01
      6   0.668811D+01  0.267776D+02 -0.399064D+01 -0.331976D+01 -0.311316D+00
                66            67            68            69            70 
      1  -0.488671D+01 -0.237754D+02  0.365703D+02 -0.592025D+01  0.105165D+02
      2   0.412649D+01  0.265942D+02 -0.403027D+02  0.318240D+01 -0.871926D+01
      3   0.760216D+00 -0.281877D+01  0.373237D+01  0.273785D+01 -0.179720D+01
      4   0.173051D+00  0.115113D+02  0.113501D+02 -0.324705D+01 -0.354437D+01
      5   0.646840D+01  0.139828D+01 -0.573001D+01 -0.569040D+01  0.247746D+02
      6  -0.827903D+01 -0.725982D+01  0.100405D+01  0.421643D+01 -0.210836D+02
                71            72            73            74            75 
      1  -0.159901D+02 -0.122983D+02 -0.512115D+00  0.677523D+01  0.129129D+01
      2   0.136952D+02  0.326955D+01 -0.120702D+02 -0.970661D+01  0.201738D+01
      3   0.229489D+01  0.902876D+01  0.125823D+02  0.293138D+01 -0.330866D+01
      4  -0.871619D+00 -0.116197D+02  0.195804D+02  0.960554D+01 -0.212909D+01
      5  -0.781774D+01 -0.102807D+00 -0.610861D+01 -0.147966D+01  0.245333D+01
      6   0.149204D+02  0.606046D+01  0.222485D+01 -0.282308D+01 -0.237327D+01
                76            77            78            79            80 
      1   0.307399D+02 -0.720327D+02  0.437799D+01  0.119928D+02  0.504296D+01
      2  -0.209264D+02  0.706321D+02 -0.587607D+01 -0.220657D+01 -0.679691D+01
      3  -0.981350D+01  0.140061D+01  0.149808D+01 -0.978626D+01  0.175395D+01
      4  -0.411973D+02 -0.163173D+01  0.190484D+01  0.630636D+01 -0.194924D+01
      5   0.577146D+01  0.390547D+01  0.280304D+01  0.298630D+02 -0.262303D+01
      6   0.432247D+01  0.300098D+01 -0.177662D+01 -0.713706D+01  0.409273D+01
                81            82            83            84            85 
      1  -0.279744D+01  0.572075D+02 -0.578228D+02 -0.191803D+00  0.796540D+01
      2  -0.855372D+01 -0.324807D+02  0.446873D+02 -0.223907D+01 -0.176301D+02
      3   0.113512D+02 -0.247268D+02  0.131355D+02  0.243087D+01  0.966468D+01
      4   0.401830D+01 -0.496212D+02  0.252061D+01  0.448674D+01  0.240310D+02
      5  -0.394676D+01  0.497346D+01  0.418966D+01 -0.338213D+01 -0.206909D+01
      6   0.281865D+01  0.275897D+01  0.340074D+01  0.394643D+00  0.145374D+01
                86            87            88            89            90 
      1   0.319327D+02 -0.113408D+01 -0.452777D+01  0.685325D+01 -0.878613D+01
      2  -0.356278D+02  0.449556D+01  0.187249D+01  0.626479D+00 -0.576149D+01
      3   0.369506D+01 -0.336149D+01  0.265528D+01 -0.747973D+01  0.145476D+02
      4  -0.445500D+01 -0.157902D+00  0.660011D+01  0.206959D+01  0.389390D+01
      5   0.366219D+00  0.540171D+01  0.321574D+01  0.100604D+02 -0.584742D+00
      6   0.930681D+00  0.267805D+01  0.276482D+01  0.758251D+01 -0.258694D+01
                91            92            93            94            95 
      1   0.181516D+02  0.892837D+01 -0.400246D+01 -0.524325D+00 -0.121598D+02
      2  -0.120719D+02 -0.308362D+01 -0.504862D+01  0.106704D+02  0.191676D+01
      3  -0.607970D+01 -0.584475D+01  0.905108D+01 -0.101461D+02  0.102431D+02
      4  -0.289265D+01 -0.158448D+02 -0.228315D+01 -0.293905D+02  0.312157D+02
      5   0.472677D+01 -0.228939D+01 -0.110950D+02  0.440869D+01  0.523083D+01
      6  -0.408876D+01  0.344932D+01 -0.311799D+01  0.481229D+01 -0.508156D+01
                96            97            98            99           100 
      1  -0.463738D+01 -0.155714D+02 -0.371201D+01 -0.121431D+02  0.217248D+01
      2  -0.584491D+01  0.386430D+01  0.103531D+00  0.856638D+01 -0.426166D+01
      3   0.104823D+02  0.117071D+02  0.360848D+01  0.357673D+01  0.208918D+01
      4   0.411724D+01 -0.416429D+01  0.845485D+00 -0.234731D+02  0.276893D+02
      5  -0.224615D+02 -0.507118D+02 -0.182105D+02  0.950169D+01 -0.121219D+01
      6  -0.365038D+01 -0.922043D+01 -0.400780D+01  0.317918D+01  0.152186D-01
               101           102           103           104           105 
      1   0.335137D+02  0.151036D+01  0.903439D+01  0.103527D+02 -0.350527D+01
      2  -0.203580D+02  0.113904D+01 -0.168259D+01 -0.403024D+01  0.247986D+01
      3  -0.131557D+02 -0.264940D+01 -0.735179D+01 -0.632241D+01  0.102541D+01
      4   0.526059D+01  0.178231D+00  0.333737D+02  0.156201D+02 -0.376055D+01
      5   0.147660D+00  0.266669D+02 -0.502731D+01 -0.220340D+01 -0.804513D+01
      6  -0.176069D+01 -0.454190D+01 -0.150362D+01 -0.576300D-03  0.818855D+01
               106           107           108           109           110 
      1   0.317811D+00 -0.339336D+01  0.583442D+00 -0.658577D+02 -0.454242D+02
      2   0.127280D+01  0.287700D+01 -0.106653D+01  0.401539D+02  0.235753D+02
      3  -0.159061D+01  0.516357D+00  0.483084D+00  0.257038D+02  0.218489D+02
      4  -0.415964D+01 -0.468854D+00  0.707011D+01 -0.435610D+02  0.949157D+01
      5   0.960341D+01  0.565707D+01 -0.392697D+01  0.101968D+02  0.869550D+01
      6   0.273389D+01  0.391666D+01 -0.123288D+01  0.230289D+01 -0.168338D+01
               111           112           113           114           115 
      1   0.105154D+02 -0.548568D+02  0.449538D+01  0.176256D+02  0.989239D+01
      2  -0.639362D+01  0.271666D+02 -0.304905D+01 -0.855719D+01 -0.492896D+01
      3  -0.412180D+01  0.276902D+02 -0.144634D+01 -0.906842D+01 -0.496343D+01
      4   0.775909D+01 -0.194306D+02  0.234277D+02  0.922195D+01  0.101709D+02
      5  -0.761607D+01  0.135350D+02  0.884164D+01  0.680723D+02 -0.246444D+02
      6   0.149349D+01  0.588262D+00 -0.474861D+01 -0.192129D+02  0.110028D+02
               116           117           118           119           120 
      1   0.136903D+02  0.380008D+00  0.402301D+02 -0.126351D+02 -0.217708D+01
      2  -0.718703D+01 -0.290072D+01 -0.149159D+02 -0.733700D+00  0.119281D+01
      3  -0.650331D+01  0.252071D+01 -0.253142D+02  0.133688D+02  0.984271D+00
      4   0.542717D+01  0.468572D+02 -0.310730D+02  0.258823D+02  0.232411D+00
      5   0.498474D+02 -0.145994D+02 -0.725468D+00 -0.978767D+00  0.325301D+01
      6  -0.154604D+02 -0.475099D-01  0.521753D+00  0.124623D+00 -0.186129D+01
               121           122           123           124           125 
      1  -0.144000D+02  0.636926D+01 -0.312843D+00 -0.348189D+01  0.317626D+00
      2  -0.518902D+01  0.143956D+02  0.252003D+00  0.278287D+01 -0.955753D+00
      3   0.195890D+02 -0.207648D+02  0.608398D-01  0.699022D+00  0.638128D+00
      4   0.385829D+02 -0.435245D+02  0.672320D+00 -0.884916D+00  0.162364D+01
      5  -0.289781D+01  0.279028D+01 -0.513535D+01 -0.173509D+01 -0.943864D+00
      6   0.138023D+01 -0.124838D+01  0.449111D+01  0.109690D+01  0.137154D+01
               126           127           128           129           130 
      1  -0.139840D+01  0.353424D+01  0.765883D+01 -0.617280D+00  0.543535D+01
      2   0.123791D+01  0.358656D+01  0.170610D+01 -0.638034D-02  0.741999D+01
      3   0.160498D+00 -0.712080D+01 -0.936493D+01  0.623660D+00 -0.128553D+02
      4  -0.150513D+01  0.227792D+02  0.227739D+02 -0.364506D+01  0.303453D+02
      5   0.595877D+00 -0.212363D+01 -0.260554D+01  0.371760D+01 -0.285605D+01
      6  -0.509003D+00 -0.160291D+01 -0.195299D+01  0.228689D+01 -0.247517D+01
               131           132           133           134           135 
      1  -0.110965D+02  0.141424D+01 -0.672939D+00  0.366009D+00 -0.906714D+00
      2   0.281998D+02 -0.225846D+01 -0.484413D+00 -0.249115D+01  0.220058D+01
      3  -0.171032D+02  0.844216D+00  0.115735D+01  0.212515D+01 -0.129386D+01
      4   0.531042D+02 -0.656134D+01 -0.485404D+01 -0.750778D+01  0.250952D+01
      5  -0.413437D+01  0.667681D+01  0.270716D+01  0.861498D+00 -0.135127D+01
      6  -0.540192D+01  0.680600D+01  0.284434D+01  0.286751D+01 -0.181670D+01
               136           137           138           139           140 
      1  -0.680430D+01 -0.149845D+02  0.244308D+01 -0.714697D+01 -0.457736D+02
      2   0.707825D+01  0.145775D+02 -0.167379D+01  0.705192D+01  0.552013D+02
      3  -0.273953D+00  0.406982D+00 -0.769292D+00  0.950524D-01 -0.942771D+01
      4  -0.406383D+00  0.481280D+01 -0.610567D-01  0.276197D+01 -0.130883D+02
      5   0.473303D+00  0.392871D+00  0.792883D+00  0.840417D-01  0.377410D+01
      6  -0.133685D+01 -0.278756D+01  0.218846D+01 -0.956068D+00 -0.892900D+01
               141           142           143           144           145 
      1   0.543611D+01  0.150217D+01  0.644942D+01 -0.193482D+01 -0.561831D+01
      2  -0.482283D+01 -0.124506D+01 -0.673229D+01  0.214140D+01  0.921362D+01
      3  -0.613282D+00 -0.257103D+00  0.282875D+00 -0.206576D+00 -0.359531D+01
      4   0.180562D+01  0.368838D-01  0.133497D+01  0.153146D+01  0.757627D+01
      5  -0.211939D+01  0.139312D+01  0.469019D+00 -0.276350D+00  0.153253D+00
      6   0.757986D+01  0.772707D-01  0.317573D+01 -0.160376D+01 -0.996122D+00
               146           147           148           149           150 
      1  -0.104746D+02  0.183962D+01 -0.743337D+01 -0.513984D+02  0.544012D+01
      2   0.161011D+02 -0.191769D+01  0.106690D+02  0.731135D+02 -0.638315D+01
      3  -0.562644D+01  0.780723D-01 -0.323567D+01 -0.217151D+02  0.943026D+00
      4   0.156888D+02 -0.155275D+01  0.945390D+01  0.207596D+02 -0.173725D+01
      5  -0.103813D+00  0.209203D+01 -0.248415D+00  0.106893D+01  0.124078D+01
      6  -0.201881D+01  0.265247D+01 -0.864578D+00 -0.567783D+01  0.859360D+01
               151           152           153           154           155 
      1   0.949639D+00  0.697397D+01 -0.198424D+01  0.266008D+01  0.506087D+01
      2  -0.161812D+01 -0.894104D+01  0.250521D+01  0.961475D+01 -0.154671D+02
      3   0.668481D+00  0.196708D+01 -0.520967D+00 -0.122748D+02  0.104062D+02
      4  -0.120220D+01 -0.342458D+01  0.179485D+01 -0.279978D+02  0.244214D+02
      5  -0.795032D-01  0.174272D+01 -0.879897D+00 -0.153921D+01  0.358200D+00
      6  -0.681581D+00  0.351627D+01 -0.174671D+01  0.242708D+01 -0.205563D+01
               156           157           158           159           160 
      1   0.804564D-01  0.935952D+01 -0.195768D+02 -0.107798D+00 -0.165896D+01
      2   0.707111D-01 -0.220882D+02  0.362974D+02  0.736584D-01  0.182950D+01
      3  -0.151167D+00  0.127287D+02 -0.167207D+02  0.341398D-01 -0.170541D+00
      4   0.562373D+00  0.279805D+02 -0.340311D+02  0.205157D+00 -0.231906D+00
      5   0.348091D+01 -0.545232D+00  0.253579D+00 -0.365893D+01 -0.627702D-01
      6  -0.339975D+01 -0.945648D+00  0.227680D+01  0.574147D+01  0.180960D+01
               161           162           163           164           165 
      1   0.133797D+01 -0.149599D+00 -0.254378D-01 -0.127290D+01 -0.189787D+01
      2  -0.193313D+01  0.126186D+01  0.394400D+00  0.148803D+01  0.194054D+01
      3   0.595160D+00 -0.111226D+01 -0.368963D+00 -0.215130D+00 -0.426643D-01
      4   0.101979D+01 -0.181727D+01  0.315067D+01  0.639216D+01 -0.240945D+01
      5  -0.181440D+01  0.422822D+00 -0.644460D+01 -0.303866D+01  0.225495D+01
      6   0.239846D+01 -0.658292D+00 -0.301074D+01 -0.187526D+01  0.799477D+00
               166           167           168           169           170 
      1  -0.376903D+01 -0.163512D+02  0.232143D+01 -0.203027D+01  0.258812D+00
      2   0.538517D+01  0.192939D+02 -0.952318D+00  0.168161D+01 -0.789921D+00
      3  -0.161614D+01 -0.294264D+01 -0.136911D+01  0.348657D+00  0.531110D+00
      4   0.108466D+02  0.160021D+02 -0.231044D+01 -0.339619D+01 -0.280514D+01
      5  -0.298033D+01 -0.195836D+01  0.316509D+01  0.217996D+01 -0.254303D+00
      6  -0.311404D+01 -0.631114D+01  0.522160D+01  0.152695D+01  0.187745D+01
               171           172           173           174           175 
      1  -0.187412D+01  0.141900D+02 -0.127551D+02 -0.719802D+00 -0.185027D+02
      2   0.206698D+01 -0.225213D+01  0.357033D+01  0.905225D+00  0.545397D+01
      3  -0.192864D+00 -0.119378D+02  0.918479D+01 -0.185422D+00  0.130487D+02
      4   0.120083D+01 -0.222030D+02  0.192185D+02  0.247663D+01  0.247965D+02
      5  -0.960335D+00 -0.396098D+01  0.333776D+01  0.829470D+01  0.613600D+01
      6  -0.134204D+01  0.389594D+01 -0.283336D+01 -0.583519D+00 -0.392569D+01
               176           177           178           179           180 
      1   0.565297D+01  0.485748D+00  0.100526D+00  0.943649D+00  0.314847D+01
      2   0.948525D+01  0.135568D+00  0.110837D+01 -0.113081D+01 -0.160157D+01
      3  -0.151382D+02 -0.621316D+00 -0.120890D+01  0.187158D+00 -0.154690D+01
      4  -0.409444D+02 -0.384605D+01  0.327874D+01 -0.272925D+01 -0.504274D+01
      5  -0.486001D+01 -0.814841D+01  0.108811D+02 -0.449999D+01 -0.336812D+01
      6   0.824543D+01  0.415802D+01 -0.218677D+01  0.548948D+01  0.194062D+01
               181           182           183           184           185 
      1  -0.809654D+02 -0.141654D+02  0.285938D+02 -0.919979D+01  0.218961D+02
      2   0.438046D+02  0.131825D+02 -0.389813D+01  0.383612D+01 -0.157885D+02
      3   0.371608D+02  0.982883D+00 -0.246957D+02  0.536367D+01 -0.610760D+01
      4  -0.160658D+02  0.129981D+02  0.519141D+01  0.179364D+02 -0.169523D+02
      5   0.378550D+02  0.697923D+01  0.125665D+02 -0.222053D+01 -0.521045D+01
      6   0.360552D+01 -0.830555D+01 -0.442121D+00 -0.905980D+01  0.100202D+02
               186           187           188           189           190 
      1   0.156797D+02  0.106949D+02  0.120929D+02  0.221960D+02 -0.223581D+02
      2   0.933039D+01  0.696738D+01  0.443719D+01 -0.132022D+01  0.227392D+02
      3  -0.250101D+02 -0.176623D+02 -0.165301D+02 -0.208758D+02 -0.381113D+00
      4   0.759109D+00 -0.533986D+01  0.649931D+00  0.257557D+02  0.151308D+02
      5   0.312378D+02  0.276201D+02  0.198563D+02 -0.692200D+01 -0.326067D+02
      6   0.221539D+01  0.590355D+01  0.194926D+01 -0.169890D+02  0.493539D+01
               191           192           193           194           195 
      1   0.663594D+01 -0.125047D+02  0.242795D+02  0.322788D+01  0.131857D+02
      2  -0.430482D+01  0.169198D+02 -0.270600D+02 -0.824039D+01 -0.174000D+02
      3  -0.233111D+01 -0.441508D+01  0.278046D+01  0.501251D+01  0.421427D+01
      4  -0.165736D+01  0.776016D+01  0.171816D+01 -0.600469D+01 -0.664521D+00
      5   0.846291D+01 -0.152758D+02  0.239546D+02 -0.285725D+01  0.379763D+02
      6  -0.561889D+01  0.575195D+01  0.181917D+01  0.100971D+01 -0.204740D+01
               196           197           198           199           200 
      1  -0.329618D+02  0.106631D+02 -0.641429D+01  0.186742D+03  0.226684D+02
      2   0.256589D+02 -0.102358D+02  0.177116D+02 -0.995217D+02 -0.126871D+02
      3   0.730292D+01 -0.427223D+00 -0.112973D+02 -0.872202D+02 -0.998134D+01
      4   0.189899D+02 -0.217032D+02  0.253997D+02  0.219629D+02  0.165394D+02
      5  -0.179589D+02  0.237272D+02 -0.228229D+02 -0.198608D+02 -0.258112D+01
      6   0.933498D+01 -0.690771D+01  0.108971D+02 -0.280879D+00 -0.736852D+00
               201           202           203           204           205 
      1  -0.156593D+02  0.637569D+02  0.200868D+02 -0.580967D+01 -0.200976D+02
      2   0.949365D+01 -0.342719D+02 -0.103147D+02  0.367005D+01  0.122592D+02
      3   0.616561D+01 -0.294850D+02 -0.977209D+01  0.213962D+01  0.783838D+01
      4  -0.221177D+01  0.243237D+02  0.175374D+02 -0.365557D+01 -0.264881D+01
      5   0.190822D+02 -0.691095D+01 -0.383431D+01  0.524409D+01  0.245967D+02
      6  -0.582357D+00 -0.110459D+01 -0.668632D+00  0.176300D+01 -0.221745D+00
               206           207           208           209           210 
      1  -0.311165D+01  0.168986D+02 -0.164430D+01 -0.415554D+01 -0.117291D+02
      2   0.203873D+01 -0.101250D+02  0.591133D+00  0.234548D+01  0.501935D+01
      3   0.107292D+01 -0.677362D+01  0.105317D+01  0.181006D+01  0.670970D+01
      4  -0.350525D+01 -0.858623D+00 -0.114026D+01 -0.168925D+01  0.148553D+01
      5  -0.100301D+01 -0.597123D+01 -0.926941D+01  0.715581D+00 -0.260925D+01
      6   0.260811D+01 -0.428860D-01  0.233997D+01  0.100697D+01  0.201823D+01
               211           212           213           214           215 
      1  -0.162488D+02  0.105451D+01 -0.744589D+00 -0.308139D+02  0.112345D+01
      2   0.678940D+01  0.559091D+01  0.175859D+01  0.167873D+02  0.255816D+00
      3   0.945939D+01 -0.664542D+01 -0.101400D+01  0.140266D+02 -0.137926D+01
      4   0.262752D+02 -0.409442D+02 -0.266918D+02  0.193989D+02 -0.285964D+02
      5   0.152511D+02 -0.269424D+02 -0.336369D+02  0.281472D+02 -0.325354D+02
      6  -0.687150D+01  0.131756D+02  0.136204D+02 -0.912393D+01  0.139192D+02
               216           217           218           219           220 
      1  -0.372417D+00  0.163831D+02 -0.448520D+01  0.125724D+02 -0.146770D+02
      2  -0.549882D+01 -0.858530D+01  0.189160D+01 -0.573497D+01  0.537128D+01
      3   0.587124D+01 -0.779783D+01  0.259360D+01 -0.683743D+01  0.930572D+01
      4  -0.305788D+02 -0.515616D+01  0.243568D+01 -0.666683D+01  0.248282D+02
      5  -0.452475D+02  0.146753D+02 -0.617036D+01  0.433327D+01 -0.169781D+02
      6   0.151850D+02 -0.344723D+01  0.119743D+01  0.116958D+00  0.464187D+01
               221           222           223           224           225 
      1   0.764227D+01 -0.739415D+01  0.446780D+02 -0.114591D+02  0.103292D+02
      2   0.697659D+00  0.133136D+01 -0.240437D+02  0.392973D+01 -0.958326D+01
      3  -0.833993D+01  0.606279D+01 -0.206343D+02  0.752934D+01 -0.745908D+00
      4  -0.288553D+02  0.190514D+02 -0.252371D+02  0.253339D+02 -0.279100D+02
      5   0.201163D+02 -0.296237D+02  0.365716D+02 -0.305841D+02  0.592209D+02
      6  -0.648415D+01  0.995702D+01 -0.903801D+01  0.103185D+02 -0.130313D+02
               226           227           228           229           230 
      1  -0.119199D+01 -0.347814D+01 -0.182575D+02 -0.617507D+01 -0.105050D+02
      2  -0.315354D+01 -0.494047D+00 -0.112767D+01  0.424364D+01  0.948206D+00
      3   0.434553D+01  0.397218D+01  0.193852D+02  0.193144D+01  0.955675D+01
      4  -0.180655D+01 -0.369001D+01 -0.261189D+01 -0.188048D+01 -0.732012D+01
      5  -0.459636D+01 -0.325770D+00 -0.715981D+01  0.619248D+01 -0.708646D+01
      6   0.168946D+01  0.355280D+01  0.145370D+01  0.111374D+01  0.669536D+01
               231           232           233           234           235 
      1  -0.129381D+02 -0.113015D+02 -0.837239D+01 -0.346710D+02 -0.115183D+01
      2  -0.745338D+01  0.508131D+01 -0.378248D+01 -0.185709D+02  0.336406D+01
      3   0.203915D+02  0.622021D+01  0.121549D+02  0.532419D+02 -0.221224D+01
      4  -0.997814D+01 -0.124092D+01 -0.870597D+01 -0.124841D+02  0.315434D+01
      5  -0.219958D+02  0.710603D+01 -0.922019D+01 -0.429314D+02  0.190073D+01
      6   0.920144D+01  0.632327D+00  0.815138D+01  0.755862D+01 -0.225916D+01
               236           237           238           239           240 
      1   0.988023D+01 -0.522495D+01  0.127008D+02 -0.203070D+02  0.439109D+01
      2  -0.760261D+01 -0.792622D+00 -0.787248D+01  0.219544D+02 -0.216187D+00
      3  -0.227762D+01  0.601757D+01 -0.482835D+01 -0.164748D+01 -0.417490D+01
      4  -0.610798D+01  0.162840D+01  0.393468D+01  0.329075D+02 -0.732616D+01
      5  -0.833021D+00 -0.556299D+01 -0.839010D+01 -0.328790D+01  0.926613D+01
      6   0.579622D+01 -0.284990D+01  0.290031D+00 -0.213191D+02  0.881515D+01
               241           242           243           244           245 
      1   0.914306D+00  0.228796D+01 -0.760428D+01  0.114335D+03  0.105521D+02
      2  -0.225688D+01 -0.849218D+00  0.315311D+01 -0.662870D+02 -0.524584D+01
      3   0.134257D+01 -0.143874D+01  0.445117D+01 -0.480481D+02 -0.530624D+01
      4   0.155573D+01 -0.126419D+01  0.137818D+01  0.247117D+02  0.147272D+02
      5  -0.330058D+01  0.138777D+01  0.161725D+01 -0.645251D+02 -0.791186D+01
      6  -0.106255D+01  0.469075D+01 -0.104062D+01 -0.613773D+01 -0.517666D+01
               246           247           248           249           250 
      1  -0.219876D+02  0.827055D+01  0.784991D+01 -0.254270D+01 -0.756996D+01
      2   0.190878D+02 -0.358905D+01 -0.301875D+01  0.143391D+00  0.909088D+01
      3   0.289981D+01 -0.468150D+01 -0.483116D+01  0.239931D+01 -0.152092D+01
      4  -0.662851D+01  0.158915D+02  0.667793D+01 -0.439947D+01 -0.188773D+01
      5   0.305228D+02 -0.469550D+01 -0.608289D+01 -0.166111D+00  0.200799D+02
      6   0.378181D+01 -0.506998D+01 -0.284647D+01  0.285486D+01  0.242888D+01
               251           252           253           254           255 
      1  -0.171465D+01  0.874548D+01  0.725300D+02 -0.221909D+02  0.313561D+02
      2   0.303795D+00 -0.951908D+01 -0.470436D+02  0.126759D+02 -0.237214D+02
      3   0.141086D+01  0.773604D+00 -0.254864D+02  0.951505D+01 -0.763470D+01
      4  -0.171182D+01  0.451527D+00 -0.253868D+02  0.213638D+02 -0.790113D+01
      5   0.944073D+00 -0.116403D+02  0.537592D+02 -0.119577D+02  0.384923D+02
      6   0.163536D+01 -0.179307D+00 -0.739830D+01  0.728842D+01 -0.404307D+01
               256           257           258           259           260 
      1  -0.374705D+02  0.114995D+02 -0.765507D+01  0.446257D+02 -0.531527D+01
      2   0.266807D+02 -0.685713D+01  0.138595D+02 -0.395602D+02  0.104686D+02
      3   0.107898D+02 -0.464234D+01 -0.620445D+01 -0.506548D+01 -0.515329D+01
      4   0.249862D+02 -0.348155D+02  0.215100D+02 -0.142248D+02  0.282789D+02
      5  -0.288102D+02  0.219556D+02 -0.328698D+02  0.643491D+02 -0.244748D+02
      6   0.936406D+01 -0.138783D+02  0.138025D+02 -0.494392D+01  0.163197D+02
               261           262           263           264           265 
      1   0.130808D+02  0.659881D+00  0.119926D+02  0.107392D+01  0.122504D+02
      2  -0.389021D+02  0.293742D+01 -0.550326D+01 -0.191568D+00 -0.235117D+01
      3   0.258213D+02 -0.359730D+01 -0.648929D+01 -0.882355D+00 -0.989921D+01
      4  -0.236158D+02  0.297999D+01 -0.379028D+00 -0.103725D+02  0.125723D+02
      5   0.725505D+02 -0.707668D+01 -0.658235D+01 -0.914840D+01 -0.697111D+01
      6  -0.125222D+02 -0.200567D+01 -0.544039D+01 -0.793613D+01 -0.450812D+01
               266           267           268           269           270 
      1  -0.106693D+02 -0.467796D+01 -0.528682D+01 -0.474953D+01 -0.671509D+01
      2   0.280300D+02  0.403387D+01  0.254179D+01  0.117690D+01  0.584459D+01
      3  -0.173607D+02  0.644086D+00  0.274503D+01  0.357262D+01  0.870497D+00
      4   0.313293D+02 -0.997565D+01 -0.189490D+02 -0.207072D+02 -0.165510D+02
      5  -0.987865D+01 -0.924315D+01 -0.162525D+02 -0.149747D+02 -0.346085D+02
      6   0.464378D+01  0.797588D+00 -0.115661D+02 -0.551240D+01 -0.162341D+02
               271           272           273           274           275 
      1   0.882175D+01  0.664352D+01  0.714835D+01  0.369768D+01 -0.253077D+01
      2  -0.440361D+01 -0.296076D+01 -0.448104D+01  0.314048D+00  0.552141D+01
      3  -0.441814D+01 -0.368276D+01 -0.266731D+01 -0.401173D+01 -0.299065D+01
      4   0.161915D+02  0.142166D+02  0.123536D+02  0.123968D+02  0.210849D+02
      5   0.144977D+02  0.110611D+02  0.152749D+02  0.824134D+01  0.114514D+02
      6   0.813046D+01  0.618745D+01  0.706986D+01  0.580851D+01  0.110221D+02
               276           277           278           279 
      1  -0.137551D+01  0.693859D+01 -0.160066D+01 -0.198055D+01
      2   0.223681D+01 -0.608926D+01  0.960237D-01 -0.628319D+01
      3  -0.861298D+00 -0.849321D+00  0.150463D+01  0.826373D+01
      4   0.123900D+02  0.208406D+02  0.273133D+02  0.281658D+02
      5   0.129723D+02  0.255141D+02  0.255998D+02  0.405618D+02
      6   0.956421D+01  0.133171D+02  0.181009D+02  0.229805D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.785317D+00      0.199608D+01      0.665820D+01
   y         -0.909047D+00     -0.231057D+01     -0.770722D+01
   z          0.460015D+00      0.116924D+01      0.390017D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.270360D+03      0.400631D+02      0.445763D+02
   yx        -0.156600D+02     -0.232057D+01     -0.258198D+01
   yy         0.167803D+03      0.248658D+02      0.276669D+02
   zx        -0.741308D+01     -0.109851D+01     -0.122225D+01
   zy        -0.446929D+01     -0.662280D+00     -0.736886D+00
   zz         0.113059D+03      0.167537D+02      0.186410D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196544D+03      0.291249D+02      0.324058D+02
   aniso      0.154508D+03      0.228958D+02      0.254750D+02
   xx         0.290372D+03      0.430287D+02      0.478758D+02
   yx        -0.193419D+02     -0.286617D+01     -0.318904D+01
   yy         0.179467D+03      0.265943D+02      0.295901D+02
   zx        -0.801563D+01     -0.118779D+01     -0.132160D+01
   zy        -0.513583D+01     -0.761051D+00     -0.846783D+00
   zz         0.119795D+03      0.177517D+02      0.197515D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75335576          1.98501129          3.69511908
     6          3.07281354          0.36052557          4.99247124
     6          4.23262703          2.71515831          1.25347388
     6          2.03700288          1.86505548          0.01517188
     6          0.33123038          0.22805073          1.31453043
     6          0.92371581         -0.48457216          3.81547876
     6          1.44118965          2.56875924         -2.49775421
     6         -0.71048013          1.70551346         -3.64224433
     6         -2.41986490          0.09442741         -2.36014214
     6         -1.87475247         -0.62281730          0.07274424
     6         -4.78465625         -0.80857364         -3.72124387
     8          6.92114707          2.90218532          4.73587398
     6          7.54762394          2.20076193          7.24295826
     1          3.46617440         -0.22304493          6.90735264
     1          5.54144705          3.95678366          0.29000863
     1         -0.35667870         -1.72777059          4.81811904
     1          2.72076872          3.80502658         -3.50908439
     1         -1.12765291          2.25557151         -5.56883230
     1         -3.13045948         -1.88293688          1.08285368
     1         -4.89233576          0.19394207         -5.51621761
     6         -7.21859209         -0.33599156         -2.22564878
     6         -4.45852275         -3.56168229         -4.46035206
     1          9.32653135          3.13960482          7.66225343
     1          7.79904654          0.15657394          7.41879616
     1          6.11147011          2.83171837          8.58919149
     1         -7.41593426          1.68082531         -1.85505838
     1         -7.20189090         -1.32842694         -0.42475833
     1         -8.86788853         -0.97029143         -3.28856086
     8         -3.82441436         -4.29400289         -6.51688590
     8         -4.92369910         -5.16892291         -2.52216892
     1         -4.59302439         -6.85939875         -3.14800340

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128635D+01      0.326958D+01      0.109061D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.202455D+03      0.300008D+02      0.333804D+02
   yx         0.368575D+02      0.546172D+01      0.607698D+01
   yy         0.137206D+03      0.203318D+02      0.226222D+02
   zx         0.607678D+02      0.900485D+01      0.100193D+02
   zy         0.716465D+00      0.106169D+00      0.118129D+00
   zz         0.211560D+03      0.313500D+02      0.348815D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196544D+03      0.291249D+02      0.324058D+02
   aniso      0.154508D+03      0.228958D+02      0.254750D+02
   xx         0.215771D+03      0.319739D+02      0.355758D+02
   yx         0.387637D+02      0.574419D+01      0.639127D+01
   yy         0.144907D+03      0.214729D+02      0.238919D+02
   zx         0.664194D+02      0.984234D+01      0.109511D+02
   zy         0.350122D+00      0.518827D-01      0.577272D-01
   zz         0.228956D+03      0.339278D+02      0.377498D+02

 ----------------------------------------------------------------------
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 IT IS A PROFOUNDLY ERRONEOUS TRUISM ... THAT WE SHOULD CULTIVATE
 THE HABIT OF THINKING OF WHAT WE ARE DOING.
 THE PRECISE OPPOSITE IS THE CASE.
 CIVILIZATION ADVANCES BY EXTENDING THE NUMBER OF IMPORTANT OPERATIONS
 WHICH WE CAN PERFORM WITHOUT THINKING ABOUT THEM.

                                    -- ALFRED NORTH WHITEHEAD
 Job cpu time:       0 days  9 hours 46 minutes 31.5 seconds.
 Elapsed time:       0 days  1 hours 13 minutes 32.0 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Sep 23 14:16:59 2021.
